pwc-archive/papers-with-abstracts huggingface dataset:
Bridging the Training-Inference Gap in LLMs by Leveraging Self-Generated Tokens
Authors: Zhepeng Cen, Yao Liu, Siliang Zeng, Pratik Chaudhari, Huzefa Rangwala, George Karypis, Rasool Fakoor
Date: 2024-10-18 00:00:00
Tasks: Math, Question Answering

Language models are often trained to maximize the likelihood of the next token given past tokens in the training dataset. However, during inference time, they are utilized differently, generating text sequentially and auto-regressively by using previously generated tokens as input to predict the next one. Marginal differences in predictions at each step can cascade over successive steps, resulting in different distributions from what the models were trained for and potentially leading to unpredictable behavior. This paper proposes two simple approaches based on model own generation to address this discrepancy between the training and inference time. Our first approach is Batch-Scheduled Sampling, where, during training, we stochastically choose between the ground-truth token from the dataset and the model's own generated token as input to predict the next token. This is done in an offline manner, modifying the context window by interleaving ground-truth tokens with those generated by the model. Our second approach is Reference-Answer-based Correction, where we explicitly incorporate a self-correction capability into the model during training. This enables the model to effectively self-correct the gaps between the generated sequences and the ground truth data without relying on an external oracle model. By incorporating our proposed strategies during training, we have observed an overall improvement in performance compared to baseline methods, as demonstrated by our extensive experiments using summarization, general question-answering, and math question-answering tasks.
EvoPress: Towards Optimal Dynamic Model Compression via Evolutionary Search
Authors: Oliver Sieberling, Denis Kuznedelev, Eldar Kurtic, Dan Alistarh
Date: 2024-10-18 00:00:00
Tasks: Model Compression, Quantization

The high computational costs of large language models (LLMs) have led to a flurry of research on LLM compression, via methods such as quantization, sparsification, or structured pruning. A new frontier in this area is given by \emph{dynamic, non-uniform} compression methods, which adjust the compression levels (e.g., sparsity) per-block or even per-layer in order to minimize accuracy loss, while guaranteeing a global compression threshold. Yet, current methods rely on heuristics for identifying the "importance" of a given layer towards the loss, based on assumptions such as \emph{error monotonicity}, i.e. that the end-to-end model compression error is proportional to the sum of layer-wise errors. In this paper, we revisit this area, and propose a new and general approach for dynamic compression that is provably optimal in a given input range. We begin from the motivating observation that, in general, \emph{error monotonicity does not hold for LLMs}: compressed models with lower sum of per-layer errors can perform \emph{worse} than models with higher error sums. To address this, we propose a new general evolutionary framework for dynamic LLM compression called EvoPress, which has provable convergence, and low sample and evaluation complexity. We show that these theoretical guarantees lead to highly competitive practical performance for dynamic compression of Llama, Mistral and Phi models. Via EvoPress, we set new state-of-the-art results across all compression approaches: structural pruning (block/layer dropping), unstructured sparsity, as well as quantization with dynamic bitwidths. Our code is available at https://github.com/IST-DASLab/EvoPress.
HR-Bandit: Human-AI Collaborated Linear Recourse Bandit
Authors: Junyu Cao, Ruijiang Gao, Esmaeil Keyvanshokooh
Date: 2024-10-18 00:00:00

Human doctors frequently recommend actionable recourses that allow patients to modify their conditions to access more effective treatments. Inspired by such healthcare scenarios, we propose the Recourse Linear UCB ($\textsf{RLinUCB}$) algorithm, which optimizes both action selection and feature modifications by balancing exploration and exploitation. We further extend this to the Human-AI Linear Recourse Bandit ($\textsf{HR-Bandit}$), which integrates human expertise to enhance performance. $\textsf{HR-Bandit}$ offers three key guarantees: (i) a warm-start guarantee for improved initial performance, (ii) a human-effort guarantee to minimize required human interactions, and (iii) a robustness guarantee that ensures sublinear regret even when human decisions are suboptimal. Empirical results, including a healthcare case study, validate its superior performance against existing benchmarks.
Convergence of Manifold Filter-Combine Networks
Authors: David R. Johnson, Joyce Chew, Siddharth Viswanath, Edward De Brouwer, Deanna Needell, Smita Krishnaswamy, Michael Perlmutter
Date: 2024-10-18 00:00:00

In order to better understand manifold neural networks (MNNs), we introduce Manifold Filter-Combine Networks (MFCNs). The filter-combine framework parallels the popular aggregate-combine paradigm for graph neural networks (GNNs) and naturally suggests many interesting families of MNNs which can be interpreted as the manifold analog of various popular GNNs. We then propose a method for implementing MFCNs on high-dimensional point clouds that relies on approximating the manifold by a sparse graph. We prove that our method is consistent in the sense that it converges to a continuum limit as the number of data points tends to infinity.
SIMformer: Single-Layer Vanilla Transformer Can Learn Free-Space Trajectory Similarity
Authors: Chuang Yang, Renhe Jiang, Xiaohang Xu, Chuan Xiao, Kaoru Sezaki
Date: 2024-10-18 00:00:00

Free-space trajectory similarity calculation, e.g., DTW, Hausdorff, and Frechet, often incur quadratic time complexity, thus learning-based methods have been proposed to accelerate the computation. The core idea is to train an encoder to transform trajectories into representation vectors and then compute vector similarity to approximate the ground truth. However, existing methods face dual challenges of effectiveness and efficiency: 1) they all utilize Euclidean distance to compute representation similarity, which leads to the severe curse of dimensionality issue -- reducing the distinguishability among representations and significantly affecting the accuracy of subsequent similarity search tasks; 2) most of them are trained in triplets manner and often necessitate additional information which downgrades the efficiency; 3) previous studies, while emphasizing the scalability in terms of efficiency, overlooked the deterioration of effectiveness when the dataset size grows. To cope with these issues, we propose a simple, yet accurate, fast, scalable model that only uses a single-layer vanilla transformer encoder as the feature extractor and employs tailored representation similarity functions to approximate various ground truth similarity measures. Extensive experiments demonstrate our model significantly mitigates the curse of dimensionality issue and outperforms the state-of-the-arts in effectiveness, efficiency, and scalability.
Enhancing AI Accessibility in Veterinary Medicine: Linking Classifiers and Electronic Health Records
Authors: Chun Yin Kong, Picasso Vasquez, Makan Farhoodimoghadam, Chris Brandt, Titus C. Brown, Krystle L. Reagan, Allison Zwingenberger, Stefan M. Keller
Date: 2024-10-18 00:00:00
Tasks: Decision Making, Diagnostic

In the rapidly evolving landscape of veterinary healthcare, integrating machine learning (ML) clinical decision-making tools with electronic health records (EHRs) promises to improve diagnostic accuracy and patient care. However, the seamless integration of ML classifiers into existing EHRs in veterinary medicine is frequently hindered by the rigidity of EHR systems or the limited availability of IT resources. To address this shortcoming, we present Anna, a freely-available software solution that provides ML classifier results for EHR laboratory data in real-time.
syren-new: Precise formulae for the linear and nonlinear matter power spectra with massive neutrinos and dynamical dark energy
Authors: Ce Sui, Deaglan J. Bartlett, Shivam Pandey, Harry Desmond, Pedro G. Ferreira, Benjamin D. Wandelt
Date: 2024-10-18 00:00:00
Tasks: CPU, GPU, Symbolic Regression

Current and future large scale structure surveys aim to constrain the neutrino mass and the equation of state of dark energy. We aim to construct accurate and interpretable symbolic approximations to the linear and nonlinear matter power spectra as a function of cosmological parameters in extended $\Lambda$CDM models which contain massive neutrinos and non-constant equations of state for dark energy. This constitutes an extension of the syren-halofit emulators to incorporate these two effects, which we call syren-new (SYmbolic-Regression-ENhanced power spectrum emulator with NEutrinos and $W_0-w_a$). We also obtain a simple approximation to the derived parameter $\sigma_8$ as a function of the cosmological parameters for these models. Our results for the linear power spectrum are designed to emulate CLASS, whereas for the nonlinear case we aim to match the results of EuclidEmulator2. We compare our results to existing emulators and $N$-body simulations. Our analytic emulators for $\sigma_8$, the linear and nonlinear power spectra achieve root mean squared errors of 0.1%, 0.3% and 1.3%, respectively, across a wide range of cosmological parameters, redshifts and wavenumbers. We verify that emulator-related discrepancies are subdominant compared to observational errors and other modelling uncertainties when computing shear power spectra for LSST-like surveys. Our expressions have similar accuracy to existing (numerical) emulators, but are at least an order of magnitude faster, both on a CPU and GPU. Our work greatly improves the accuracy, speed and range of applicability of current symbolic approximations to the linear and nonlinear matter power spectra. We provide publicly available code for all symbolic approximations found.
JAMUN: Transferable Molecular Conformational Ensemble Generation with Walk-Jump Sampling
Authors: Ameya Daigavane, Bodhi P. Vani, Saeed Saremi, Joseph Kleinhenz, Joshua Rackers
Date: 2024-10-18 00:00:00
Tasks: Drug Discovery

Conformational ensembles of protein structures are immensely important both to understanding protein function, and for drug discovery in novel modalities such as cryptic pockets. Current techniques for sampling ensembles are computationally inefficient, or do not transfer to systems outside their training data. We present walk-Jump Accelerated Molecular ensembles with Universal Noise (JAMUN), a step towards the goal of efficiently sampling the Boltzmann distribution of arbitrary proteins. By extending Walk-Jump Sampling to point clouds, JAMUN enables ensemble generation at orders of magnitude faster rates than traditional molecular dynamics or state-of-the-art ML methods. Further, JAMUN is able to predict the stable basins of small peptides that were not seen during training.
Learning to Control the Smoothness of Graph Convolutional Network Features
Authors: Shih-Hsin Wang, Justin Baker, Cory Hauck, Bao Wang
Date: 2024-10-18 00:00:00
Tasks: Classification, Computational Efficiency, Node Classification

The pioneering work of Oono and Suzuki [ICLR, 2020] and Cai and Wang [arXiv:2006.13318] initializes the analysis of the smoothness of graph convolutional network (GCN) features. Their results reveal an intricate empirical correlation between node classification accuracy and the ratio of smooth to non-smooth feature components. However, the optimal ratio that favors node classification is unknown, and the non-smooth features of deep GCN with ReLU or leaky ReLU activation function diminish. In this paper, we propose a new strategy to let GCN learn node features with a desired smoothness -- adapting to data and tasks -- to enhance node classification. Our approach has three key steps: (1) We establish a geometric relationship between the input and output of ReLU or leaky ReLU. (2) Building on our geometric insights, we augment the message-passing process of graph convolutional layers (GCLs) with a learnable term to modulate the smoothness of node features with computational efficiency. (3) We investigate the achievable ratio between smooth and non-smooth feature components for GCNs with the augmented message-passing scheme. Our extensive numerical results show that the augmented message-passing schemes significantly improve node classification for GCN and some related models.
Contractivity and linear convergence in bilinear saddle-point problems: An operator-theoretic approach
Authors: Colin Dirren, Mattia Bianchi, Panagiotis D. Grontas, John Lygeros, Florian Dörfler
Date: 2024-10-18 00:00:00

We study the convex-concave bilinear saddle-point problem $\min_x \max_y f(x) + y^\top Ax - g(y)$, where both, only one, or none of the functions $f$ and $g$ are strongly convex, and suitable rank conditions on the matrix $A$ hold. The solution of this problem is at the core of many machine learning tasks. By employing tools from monotone operator theory, we systematically prove the contractivity (in turn, the linear convergence) of several first-order primal-dual algorithms, including the Chambolle-Pock method. Our approach results in concise proofs, and it yields new convergence guarantees and tighter bounds compared to known results.
A Lipschitz spaces view of infinitely wide shallow neural networks
Authors: Francesca Bartolucci, Marcello Carioni, José A. Iglesias, Yury Korolev, Emanuele Naldi, Stefano Vigogna
Date: 2024-10-18 00:00:00

We revisit the mean field parametrization of shallow neural networks, using signed measures on unbounded parameter spaces and duality pairings that take into account the regularity and growth of activation functions. This setting directly leads to the use of unbalanced Kantorovich-Rubinstein norms defined by duality with Lipschitz functions, and of spaces of measures dual to those of continuous functions with controlled growth. These allow to make transparent the need for total variation and moment bounds or penalization to obtain existence of minimizers of variational formulations, under which we prove a compactness result in strong Kantorovich-Rubinstein norm, and in the absence of which we show several examples demonstrating undesirable behavior. Further, the Kantorovich-Rubinstein setting enables us to combine the advantages of a completely linear parametrization and ensuing reproducing kernel Banach space framework with optimal transport insights. We showcase this synergy with representer theorems and uniform large data limits for empirical risk minimization, and in proposed formulations for distillation and fusion applications.
Learning With Multi-Group Guarantees For Clusterable Subpopulations
Authors: Jessica Dai, Nika Haghtalab, Eric Zhao
Date: 2024-10-18 00:00:00

A canonical desideratum for prediction problems is that performance guarantees should hold not just on average over the population, but also for meaningful subpopulations within the overall population. But what constitutes a meaningful subpopulation? In this work, we take the perspective that relevant subpopulations should be defined with respect to the clusters that naturally emerge from the distribution of individuals for which predictions are being made. In this view, a population refers to a mixture model whose components constitute the relevant subpopulations. We suggest two formalisms for capturing per-subgroup guarantees: first, by attributing each individual to the component from which they were most likely drawn, given their features; and second, by attributing each individual to all components in proportion to their relative likelihood of having been drawn from each component. Using online calibration as a case study, we study a multi-objective algorithm that provides guarantees for each of these formalisms by handling all plausible underlying subpopulation structures simultaneously, and achieve an $O(T^{1/2})$ rate even when the subpopulations are not well-separated. In comparison, the more natural cluster-then-predict approach that first recovers the structure of the subpopulations and then makes predictions suffers from a $O(T^{2/3})$ rate and requires the subpopulations to be separable. Along the way, we prove that providing per-subgroup calibration guarantees for underlying clusters can be easier than learning the clusters: separation between median subgroup features is required for the latter but not the former.
Neuro-Symbolic Traders: Assessing the Wisdom of AI Crowds in Markets
Authors: Namid R. Stillman, Rory Baggott
Date: 2024-10-18 00:00:00
Tasks: Financial Analysis

Deep generative models are becoming increasingly used as tools for financial analysis. However, it is unclear how these models will influence financial markets, especially when they infer financial value in a semi-autonomous way. In this work, we explore the interplay between deep generative models and market dynamics. We develop a form of virtual traders that use deep generative models to make buy/sell decisions, which we term neuro-symbolic traders, and expose them to a virtual market. Under our framework, neuro-symbolic traders are agents that use vision-language models to discover a model of the fundamental value of an asset. Agents develop this model as a stochastic differential equation, calibrated to market data using gradient descent. We test our neuro-symbolic traders on both synthetic data and real financial time series, including an equity stock, commodity, and a foreign exchange pair. We then expose several groups of neuro-symbolic traders to a virtual market environment. This market environment allows for feedback between the traders belief of the underlying value to the observed price dynamics. We find that this leads to price suppression compared to the historical data, highlighting a future risk to market stability. Our work is a first step towards quantifying the effect of deep generative agents on markets dynamics and sets out some of the potential risks and benefits of this approach in the future.
Understanding the Difficulty of Low-Precision Post-Training Quantization for LLMs
Authors: Zifei Xu, Sayeh Sharify, Wanzin Yazar, Tristan Webb, Xin Wang
Date: 2024-10-18 00:00:00
Tasks: Quantization

Large language models of high parameter counts are computationally expensive, yet can be made much more efficient by compressing their weights to very low numerical precision. This can be achieved either through post-training quantization by minimizing local, layer-wise quantization errors, or through quantization-aware fine-tuning by minimizing the global loss function. In this study, we discovered that, under the same data constraint, the former approach nearly always fared worse than the latter, a phenomenon particularly prominent when the numerical precision is very low. We further showed that this difficulty of post-training quantization arose from stark misalignment between optimization of the local and global objective functions. Our findings explains limited utility in minimization of local quantization error and the importance of direct quantization-aware fine-tuning, in the regime of large models at very low precision.
Measuring Diversity: Axioms and Challenges
Authors: Mikhail Mironov, Liudmila Prokhorenkova
Date: 2024-10-18 00:00:00
Tasks: Diversity, Recommendation Systems

The concept of diversity is widely used in various applications: from image or molecule generation to recommender systems. Thus, being able to properly measure diversity is important. This paper addresses the problem of quantifying diversity for a set of objects. First, we make a systematic review of existing diversity measures and explore their undesirable behavior in some cases. Based on this review, we formulate three desirable properties (axioms) of a reliable diversity measure: monotonicity, uniqueness, and continuity. We show that none of the existing measures has all three properties and thus these measures are not suitable for quantifying diversity. Then, we construct two examples of measures that have all the desirable properties, thus proving that the list of axioms is not self-contradicting. Unfortunately, the constructed examples are too computationally complex for practical use, thus we pose an open problem of constructing a diversity measure that has all the listed properties and can be computed in practice.
Diffusion-based Semi-supervised Spectral Algorithm for Regression on Manifolds
Authors: Weichun Xia, Jiaxin Jiang, Lei Shi
Date: 2024-10-18 00:00:00
Tasks: regression

We introduce a novel diffusion-based spectral algorithm to tackle regression analysis on high-dimensional data, particularly data embedded within lower-dimensional manifolds. Traditional spectral algorithms often fall short in such contexts, primarily due to the reliance on predetermined kernel functions, which inadequately address the complex structures inherent in manifold-based data. By employing graph Laplacian approximation, our method uses the local estimation property of heat kernel, offering an adaptive, data-driven approach to overcome this obstacle. Another distinct advantage of our algorithm lies in its semi-supervised learning framework, enabling it to fully use the additional unlabeled data. This ability enhances the performance by allowing the algorithm to dig the spectrum and curvature of the data manifold, providing a more comprehensive understanding of the dataset. Moreover, our algorithm performs in an entirely data-driven manner, operating directly within the intrinsic manifold structure of the data, without requiring any predefined manifold information. We provide a convergence analysis of our algorithm. Our findings reveal that the algorithm achieves a convergence rate that depends solely on the intrinsic dimension of the underlying manifold, thereby avoiding the curse of dimensionality associated with the higher ambient dimension.
Comparing Differentiable and Dynamic Ray Tracing: Introducing the Multipath Lifetime Map
Authors: Jérome Eertmans, Enrico Maria Vittuci, Vittorio Degli-Esposti, Laurent Jacques, Claude Oestges
Date: 2024-10-18 00:00:00

With the increasing presence of dynamic scenarios, such as Vehicle-to-Vehicle communications, radio propagation modeling tools must adapt to the rapidly changing nature of the radio channel. Recently, both Differentiable and Dynamic Ray Tracing frameworks have emerged to address these challenges. However, there is often confusion about how these approaches differ and which one should be used in specific contexts. In this paper, we provide an overview of these two techniques and a comparative analysis against two state-of-the-art tools: 3DSCAT from UniBo and Sionna from NVIDIA. To provide a more precise characterization of the scope of these methods, we introduce a novel simulation-based metric, the Multipath Lifetime Map, which enables the evaluation of spatial and temporal coherence in radio channels only based on the geometrical description of the environment. Finally, our metrics are evaluated on a classic urban street canyon scenario, yielding similar results to those obtained from measurement campaigns.
The Traveling Bandit: A Framework for Bayesian Optimization with Movement Costs
Authors: Qiyuan Chen, Raed Al Kontar
Date: 2024-10-18 00:00:00
Tasks: Bayesian Optimization, Traveling Salesman Problem

This paper introduces a framework for Bayesian Optimization (BO) with metric movement costs, addressing a critical challenge in practical applications where input alterations incur varying costs. Our approach is a convenient plug-in that seamlessly integrates with the existing literature on batched algorithms, where designs within batches are observed following the solution of a Traveling Salesman Problem. The proposed method provides a theoretical guarantee of convergence in terms of movement costs for BO. Empirically, our method effectively reduces average movement costs over time while maintaining comparable regret performance to conventional BO methods. This framework also shows promise for broader applications in various bandit settings with movement costs.