pwc-archive/papers-with-abstracts huggingface dataset:
Online robust non-stationary estimation
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

The real-time estimation of time-varying parameters from high-dimensional, heavy-tailed and corrupted data-streams is a common sub-routine in systems ranging from those for network monitoring and anomaly detection to those for traffic scheduling in data-centers. For estimation tasks that can be cast as minimizing a strongly convex loss function, we prove that an appropriately tuned version of the {\ttfamily clipped Stochastic Gradient Descent} (SGD) is simultaneously {\em(i)} adaptive to drift, {\em (ii)} robust to heavy-tailed inliers and arbitrary corruptions,  {\em(iii)} requires no distributional knowledge and {\em (iv)} can be implemented in an online streaming fashion. All prior estimation algorithms have only been proven to posses a subset of these practical desiderata. A observation we make is that, neither the $\mathcal{O}\left(\frac{1}{t}\right)$ learning rate for {\ttfamily clipped SGD} known to be optimal for strongly convex loss functions of a \emph{stationary} data-stream, nor the $\mathcal{O}(1)$ learning rate known to be optimal for being adaptive to drift in a \emph{noiseless} environment can be used. Instead, a learning rate of $T^{-\alpha}$ for $ \alpha < 1$ where $T$ is the stream-length is needed to balance adaptivity to potential drift and to combat noise. We develop a new inductive argument and combine it with a martingale concentration result to derive high-probability under \emph{any learning rate} on data-streams exhibiting \emph{arbitrary distribution shift} - a proof strategy that may be of independent interest. Further, using the classical doubling-trick, we relax the knowledge of the stream length $T$. Ours is the first online estimation algorithm that is provably robust to heavy-tails, corruptions and distribution shift simultaneously. We complement our theoretical results empirically on synthetic and real data.Submission Number: 9224
GLIME: General, Stable and Local LIME Explanation
Authors: Zeren Tan, Yang Tian, Jian Li
Date: 2023-11-27 00:00:00
Proceeding: NeurIPS 2023 11

As black-box machine learning models grow in complexity and find applications in high-stakes scenarios, it is imperative to provide explanations for their predictions. Although Local Interpretable Model-agnostic Explanations (LIME) [22] is a widely adpoted method for understanding model behaviors, it is unstable with respect to random seeds [35,24,3] and exhibits low local fidelity (i.e., how well the explanation approximates the model's local behaviors) [21,16]. Our study shows that this instability problem stems from small sample weights, leading to the dominance of regularization and slow convergence. Additionally, LIME's sampling neighborhood is non-local and biased towards the reference, resulting in poor local fidelity and sensitivity to reference choice. To tackle these challenges, we introduce GLIME, an enhanced framework extending LIME and unifying several prior methods. Within the GLIME framework, we derive an equivalent formulation of LIME that achieves significantly faster convergence and improved stability. By employing a local and unbiased sampling distribution, GLIME generates explanations with higher local fidelity compared to LIME. GLIME explanations are independent of reference choice. Moreover, GLIME offers users the flexibility to choose a sampling distribution based on their specific scenarios.
Moment Matching Denoising Gibbs Sampling
Authors: Mingtian Zhang, Alex Hawkins-Hooker, Brooks Paige, David Barber
Date: 2023-05-19 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Denoising

Energy-Based Models (EBMs) offer a versatile framework for modeling complex data distributions. However, training and sampling from EBMs continue to pose significant challenges. The widely-used Denoising Score Matching (DSM) method for scalable EBM training suffers from inconsistency issues, causing the energy model to learn a `noisy' data distribution. In this work, we propose an efficient sampling framework: (pseudo)-Gibbs sampling with moment matching, which enables effective sampling from the underlying clean model when given a `noisy' model that has been well-trained via DSM. We explore the benefits of our approach compared to related methods and demonstrate how to scale the method to high-dimensional datasets.
Curve Your Enthusiasm: Concurvity Regularization in Differentiable Generalized Additive Models
Authors: Julien Siems, Konstantin Ditschuneit, Winfried Ripken, Alma Lindborg, Maximilian Schambach, Johannes S. Otterbach, Martin Genzel
Date: 2023-05-19 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Additive models, Time Series

Generalized Additive Models (GAMs) have recently experienced a resurgence in popularity due to their interpretability, which arises from expressing the target value as a sum of non-linear transformations of the features. Despite the current enthusiasm for GAMs, their susceptibility to concurvity - i.e., (possibly non-linear) dependencies between the features - has hitherto been largely overlooked. Here, we demonstrate how concurvity can severly impair the interpretability of GAMs and propose a remedy: a conceptually simple, yet effective regularizer which penalizes pairwise correlations of the non-linearly transformed feature variables. This procedure is applicable to any differentiable additive model, such as Neural Additive Models or NeuralProphet, and enhances interpretability by eliminating ambiguities due to self-canceling feature contributions. We validate the effectiveness of our regularizer in experiments on synthetic as well as real-world datasets for time-series and tabular data. Our experiments show that concurvity in GAMs can be reduced without significantly compromising prediction quality, improving interpretability and reducing variance in the feature importances.
Should We Learn Most Likely Functions or Parameters?
Authors: Shikai Qiu, Tim G. J. Rudner, Sanyam Kapoor, Andrew Gordon Wilson
Date: 2023-11-27 00:00:00
Proceeding: NeurIPS 2023 11

Standard regularized training procedures correspond to maximizing a posterior distribution over parameters, known as maximum a posteriori (MAP) estimation. However, model parameters are of interest only insomuch as they combine with the functional form of a model to provide a function that can make good predictions. Moreover, the most likely parameters under the parameter posterior do not generally correspond to the most likely function induced by the parameter posterior. In fact, we can re-parametrize a model such that any setting of parameters can maximize the parameter posterior. As an alternative, we investigate the benefits and drawbacks of directly estimating the most likely function implied by the model and the data. We show that this procedure leads to pathological solutions when using neural networks and prove conditions under which the procedure is well-behaved, as well as a scalable approximation. Under these conditions, we find that function-space MAP estimation can lead to flatter minima, better generalization, and improved robustness to overfitting.
Energy Discrepancies: A Score-Independent Loss for Energy-Based Models
Authors: Tobias Schröder, Zijing Ou, Jen Ning Lim, Yingzhen Li, Sebastian J. Vollmer, Andrew B. Duncan
Date: 2023-07-12 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Decoder

Energy-based models are a simple yet powerful class of probabilistic models, but their widespread adoption has been limited by the computational burden of training them. We propose a novel loss function called Energy Discrepancy (ED) which does not rely on the computation of scores or expensive Markov chain Monte Carlo. We show that ED approaches the explicit score matching and negative log-likelihood loss under different limits, effectively interpolating between both. Consequently, minimum ED estimation overcomes the problem of nearsightedness encountered in score-based estimation methods, while also enjoying theoretical guarantees. Through numerical experiments, we demonstrate that ED learns low-dimensional data distributions faster and more accurately than explicit score matching or contrastive divergence. For high-dimensional image data, we describe how the manifold hypothesis puts limitations on our approach and demonstrate the effectiveness of energy discrepancy by training the energy-based model as a prior of a variational decoder model.
SE(3) Equivariant Augmented Coupling Flows
Authors: Laurence I. Midgley, Vincent Stimper, Javier Antorán, Emile Mathieu, Bernhard Schölkopf, José Miguel Hernández-Lobato
Date: 2023-08-20 00:00:00
Proceeding: NeurIPS 2023 11

Coupling normalizing flows allow for fast sampling and density evaluation, making them the tool of choice for probabilistic modeling of physical systems. However, the standard coupling architecture precludes endowing flows that operate on the Cartesian coordinates of atoms with the SE(3) and permutation invariances of physical systems. This work proposes a coupling flow that preserves SE(3) and permutation equivariance by performing coordinate splits along additional augmented dimensions. At each layer, the flow maps atoms' positions into learned SE(3) invariant bases, where we apply standard flow transformations, such as monotonic rational-quadratic splines, before returning to the original basis. Crucially, our flow preserves fast sampling and density evaluation, and may be used to produce unbiased estimates of expectations with respect to the target distribution via importance sampling. When trained on the DW4, LJ13, and QM9-positional datasets, our flow is competitive with equivariant continuous normalizing flows and diffusion models, while allowing sampling more than an order of magnitude faster. Moreover, to the best of our knowledge, we are the first to learn the full Boltzmann distribution of alanine dipeptide by only modeling the Cartesian positions of its atoms. Lastly, we demonstrate that our flow can be trained to approximately sample from the Boltzmann distribution of the DW4 and LJ13 particle systems using only their energy functions.
Addressing the speed-accuracy simulation trade-off for adaptive spiking neurons
Authors: Luke Taylor, Andrew J King, Nicol S Harper
Date: 2023-11-19 00:00:00
Proceeding: NeurIPS 2023 11

The adaptive leaky integrate-and-fire (ALIF) model is fundamental within computational neuroscience and has been instrumental in studying our brains $\textit{in silico}$. Due to the sequential nature of simulating these neural models, a commonly faced issue is the speed-accuracy trade-off: either accurately simulate a neuron using a small discretisation time-step (DT), which is slow, or more quickly simulate a neuron using a larger DT and incur a loss in simulation accuracy. Here we provide a solution to this dilemma, by algorithmically reinterpreting the ALIF model, reducing the sequential simulation complexity and permitting a more efficient parallelisation on GPUs. We computationally validate our implementation to obtain over a $50\times$ training speedup using small DTs on synthetic benchmarks. We also obtained a comparable performance to the standard ALIF implementation on different supervised classification tasks - yet in a fraction of the training time. Lastly, we showcase how our model makes it possible to quickly and accurately fit real electrophysiological recordings of cortical neurons, where very fine sub-millisecond DTs are crucial for capturing exact spike timing.
Online learning of long-range dependencies
Authors: Nicolas Zucchet, Robert Meier, Simon Schug, Asier Mujika, João Sacramento
Date: 2023-05-25 00:00:00
Proceeding: NeurIPS 2023 11

Online learning holds the promise of enabling efficient long-term credit assignment in recurrent neural networks. However, current algorithms fall short of offline backpropagation by either not being scalable or failing to learn long-range dependencies. Here we present a high-performance online learning algorithm that merely doubles the memory and computational requirements of a single inference pass. We achieve this by leveraging independent recurrent modules in multi-layer networks, an architectural motif that has recently been shown to be particularly powerful. Experiments on synthetic memory problems and on the challenging long-range arena benchmark suite reveal that our algorithm performs competitively, establishing a new standard for what can be achieved through online learning. This ability to learn long-range dependencies offers a new perspective on learning in the brain and opens a promising avenue in neuromorphic computing.
How a student becomes a teacher: learning and forgetting through Spectral methods
Authors: Lorenzo Giambagli, Lorenzo Buffoni, Lorenzo Chicchi, Duccio Fanelli
Date: 2023-10-19 00:00:00
Proceeding: NeurIPS 2023 11

In theoretical ML, the teacher-student paradigm is often employed as an effective metaphor for real-life tuition. The above scheme proves particularly relevant when the student network is overparameterized as compared to the teacher network. Under these operating conditions, it is tempting to speculate that the student ability to handle the given task could be eventually stored in a sub-portion of the whole network. This latter should be to some extent reminiscent of the frozen teacher structure, according to suitable metrics, while being approximately invariant across different architectures of the student candidate network. Unfortunately, state-of-the-art conventional learning techniques could not help in identifying the existence of such an invariant subnetwork, due to the inherent degree of non-convexity that characterizes the examined problem. In this work, we take a leap forward by proposing a radically different optimization scheme which builds on a spectral representation of the linear transfer of information between layers. The gradient is hence calculated with respect to both eigenvalues and eigenvectors with negligible increase in terms of computational and complexity load, as compared to standard training algorithms. Working in this framework, we could isolate a stable student substructure, that mirrors the true complexity of the teacher in terms of computing neurons, path distribution and topological attributes. When pruning unimportant nodes of the trained student, as follows a ranking that reflects the optimized eigenvalues, no degradation in the recorded performance is seen above a threshold that corresponds to the effective teacher size. The observed behavior can be pictured as a genuine second-order phase transition that bears universality traits.
Long Sequence Hopfield Memory
Authors: Hamza Tahir Chaudhry, Jacob A. Zavatone-Veth, Dmitry Krotov, Cengiz Pehlevan
Date: 2023-06-07 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Attribute

Sequence memory is an essential attribute of natural and artificial intelligence that enables agents to encode, store, and retrieve complex sequences of stimuli and actions. Computational models of sequence memory have been proposed where recurrent Hopfield-like neural networks are trained with temporally asymmetric Hebbian rules. However, these networks suffer from limited sequence capacity (maximal length of the stored sequence) due to interference between the memories. Inspired by recent work on Dense Associative Memories, we expand the sequence capacity of these models by introducing a nonlinear interaction term, enhancing separation between the patterns. We derive novel scaling laws for sequence capacity with respect to network size, significantly outperforming existing scaling laws for models based on traditional Hopfield networks, and verify these theoretical results with numerical simulation. Moreover, we introduce a generalized pseudoinverse rule to recall sequences of highly correlated patterns. Finally, we extend this model to store sequences with variable timing between states' transitions and describe a biologically-plausible implementation, with connections to motor neuroscience.
Fine-grained Expressivity of Graph Neural Networks
Authors: Jan Böker, Ron Levie, Ningyuan Huang, Soledad Villar, Christopher Morris
Date: 2023-06-06 00:00:00
Proceeding: NeurIPS 2023 11

Numerous recent works have analyzed the expressive power of message-passing graph neural networks (MPNNs), primarily utilizing combinatorial techniques such as the $1$-dimensional Weisfeiler-Leman test ($1$-WL) for the graph isomorphism problem. However, the graph isomorphism objective is inherently binary, not giving insights into the degree of similarity between two given graphs. This work resolves this issue by considering continuous extensions of both $1$-WL and MPNNs to graphons. Concretely, we show that the continuous variant of $1$-WL delivers an accurate topological characterization of the expressive power of MPNNs on graphons, revealing which graphs these networks can distinguish and the level of difficulty in separating them. We identify the finest topology where MPNNs separate points and prove a universal approximation theorem. Consequently, we provide a theoretical framework for graph and graphon similarity combining various topological variants of classical characterizations of the $1$-WL. In particular, we characterize the expressive power of MPNNs in terms of the tree distance, which is a graph distance based on the concept of fractional isomorphisms, and substructure counts via tree homomorphisms, showing that these concepts have the same expressive power as the $1$-WL and MPNNs on graphons. Empirically, we validate our theoretical findings by showing that randomly initialized MPNNs, without training, exhibit competitive performance compared to their trained counterparts. Moreover, we evaluate different MPNN architectures based on their ability to preserve graph distances, highlighting the significance of our continuous $1$-WL test in understanding MPNNs' expressivity.
Dis-inhibitory neuronal circuits can control the sign of synaptic plasticity
Authors: Julian Rossbroich, Friedemann Zenke
Date: 2023-10-30 00:00:00
Proceeding: NeurIPS 2023 11

How neuronal circuits achieve credit assignment remains a central unsolved question in systems neuroscience. Various studies have suggested plausible solutions for back-propagating error signals through multi-layer networks. These purely functionally motivated models assume distinct neuronal compartments to represent local error signals that determine the sign of synaptic plasticity. However, this explicit error modulation is inconsistent with phenomenological plasticity models in which the sign depends primarily on postsynaptic activity. Here we show how a plausible microcircuit model and Hebbian learning rule derived within an adaptive control theory framework can resolve this discrepancy. Assuming errors are encoded in top-down dis-inhibitory synaptic afferents, we show that error-modulated learning emerges naturally at the circuit level when recurrent inhibition explicitly influences Hebbian plasticity. The same learning rule accounts for experimentally observed plasticity in the absence of inhibition and performs comparably to back-propagation of error (BP) on several non-linearly separable benchmarks. Our findings bridge the gap between functional and experimentally observed plasticity rules and make concrete predictions on inhibitory modulation of excitatory plasticity.
Beyond Geometry: Comparing the Temporal Structure of Computation in Neural Circuits with Dynamical Similarity Analysis
Authors: Mitchell Ostrow, Adam Eisen, Leo Kozachkov, Ila Fiete
Date: 2023-06-16 00:00:00
Proceeding: NeurIPS 2023 11

How can we tell whether two neural networks utilize the same internal processes for a particular computation? This question is pertinent for multiple subfields of neuroscience and machine learning, including neuroAI, mechanistic interpretability, and brain-machine interfaces. Standard approaches for comparing neural networks focus on the spatial geometry of latent states. Yet in recurrent networks, computations are implemented at the level of dynamics, and two networks performing the same computation with equivalent dynamics need not exhibit the same geometry. To bridge this gap, we introduce a novel similarity metric that compares two systems at the level of their dynamics, called Dynamical Similarity Analysis (DSA). Our method incorporates two components: Using recent advances in data-driven dynamical systems theory, we learn a high-dimensional linear system that accurately captures core features of the original nonlinear dynamics. Next, we compare different systems passed through this embedding using a novel extension of Procrustes Analysis that accounts for how vector fields change under orthogonal transformation. In four case studies, we demonstrate that our method disentangles conjugate and non-conjugate recurrent neural networks (RNNs), while geometric methods fall short. We additionally show that our method can distinguish learning rules in an unsupervised manner. Our method opens the door to comparative analyses of the essential temporal structure of computation in neural circuits.
Arbitrarily Scalable Environment Generators via Neural Cellular Automata
Authors: Yulun Zhang, Matthew C. Fontaine, Varun Bhatt, Stefanos Nikolaidis, Jiaoyang Li
Date: 2023-10-28 00:00:00
Proceeding: NeurIPS 2023 11

We study the problem of generating arbitrarily large environments to improve the throughput of multi-robot systems. Prior work proposes Quality Diversity (QD) algorithms as an effective method for optimizing the environments of automated warehouses. However, these approaches optimize only relatively small environments, falling short when it comes to replicating real-world warehouse sizes. The challenge arises from the exponential increase in the search space as the environment size increases. Additionally, the previous methods have only been tested with up to 350 robots in simulations, while practical warehouses could host thousands of robots. In this paper, instead of optimizing environments, we propose to optimize Neural Cellular Automata (NCA) environment generators via QD algorithms. We train a collection of NCA generators with QD algorithms in small environments and then generate arbitrarily large environments from the generators at test time. We show that NCA environment generators maintain consistent, regularized patterns regardless of environment size, significantly enhancing the scalability of multi-robot systems in two different domains with up to 2,350 robots. Additionally, we demonstrate that our method scales a single-agent reinforcement learning policy to arbitrarily large environments with similar patterns. We include the source code at \url{https://github.com/lunjohnzhang/warehouse_env_gen_nca_public}.
Katakomba: Tools and Benchmarks for Data-Driven NetHack
Authors: Vladislav Kurenkov, Alexander Nikulin, Denis Tarasov, Sergey Kolesnikov
Date: 2023-06-14 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: D4RL, NetHack, Recommendation Systems, reinforcement-learning, Reinforcement Learning

NetHack is known as the frontier of reinforcement learning research where learning-based methods still need to catch up to rule-based solutions. One of the promising directions for a breakthrough is using pre-collected datasets similar to recent developments in robotics, recommender systems, and more under the umbrella of offline reinforcement learning (ORL). Recently, a large-scale NetHack dataset was released; while it was a necessary step forward, it has yet to gain wide adoption in the ORL community. In this work, we argue that there are three major obstacles for adoption: resource-wise, implementation-wise, and benchmark-wise. To address them, we develop an open-source library that provides workflow fundamentals familiar to the ORL community: pre-defined D4RL-style tasks, uncluttered baseline implementations, and reliable evaluation tools with accompanying configs and logs synced to the cloud.