pwc-archive/papers-with-abstracts huggingface dataset:
Non-Halting Queries: Exploiting Fixed Points in LLMs
Authors: Ghaith Hammouri, Kemal Derya, Berk Sunar
Date: 2024-10-08 00:00:00

We introduce a new vulnerability that exploits fixed points in autoregressive models and use it to craft queries that never halt, i.e. an LLM output that does not terminate. More precisely, for what we call non-halting queries, the LLM never samples the end-of-string token (<eos>). We rigorously analyze the conditions under which the non-halting anomaly presents itself. In particular, at temperature zero, we prove that if a repeating (cyclic) sequence of tokens is observed at the output beyond the context size, then the LLM does not halt. We demonstrate the non-halting anomaly in a number of experiments performed in base (unaligned) models where repeating tokens immediately lead to a non-halting cyclic behavior as predicted by the analysis. Further, we develop a simple recipe that takes the same fixed points observed in the base model and creates a prompt structure to target aligned models. We study the recipe behavior in bypassing alignment in a number of LLMs including GPT-4o, llama-3-8b-instruct, and gemma-2-9b-it where all models are forced into a non-halting state. Further, we demonstrate the recipe's success in sending most major models released over the past year into a non-halting state with the same simple prompt even at higher temperatures. Further, we study direct inversion based techniques to craft new short prompts to induce the non-halting state. Our experiments with the gradient search based inversion technique ARCA show that non-halting is prevalent across models and may be easily induced with a few input tokens. While its impact on the reliability of hosted systems can be mitigated by configuring a hard maximum token limit in the sampler, the non-halting anomaly still manages to break alignment. This underlines the need for further studies and stronger forms of alignment against non-halting anomalies.
Solving Functional Optimization with Deep Networks and Variational Principles
Authors: Kawisorn Kamtue, Jose M. F. Moura, Orathai Sangpetch
Date: 2024-10-08 00:00:00
Tasks: Math

Can neural networks solve math problems using first a principle alone? This paper shows how to leverage the fundamental theorem of the calculus of variations to design deep neural networks to solve functional optimization without requiring training data (e.g., ground-truth optimal solutions). Our approach is particularly crucial when the solution is a function defined over an unknown interval or support\textemdash such as in minimum-time control problems. By incorporating the necessary conditions satisfied by the optimal function solution, as derived from the calculus of variation, in the design of the deep architecture, CalVNet leverages overparameterized neural networks to learn these optimal functions directly. We validate CalVNet by showing that, without relying on ground-truth data and simply incorporating first principles, it successfully derives the Kalman filter for linear filtering, the bang-bang optimal control for minimum-time problems, and finds geodesics on manifolds. Our results demonstrate that CalVNet can be trained in an unsupervised manner, without relying on ground-truth data, establishing a promising framework for addressing general, potentially unsolved functional optimization problems that still lack analytical solutions.
MC-MoE: Mixture Compressor for Mixture-of-Experts LLMs Gains More
Authors: Wei Huang, Yue Liao, Jianhui Liu, Ruifei He, Haoru Tan, Shiming Zhang, Hongsheng Li, Si Liu, Xiaojuan Qi
Date: 2024-10-08 00:00:00
Tasks: Mixture-of-Experts, Quantization

Mixture-of-Experts large language models (MoE-LLMs) marks a significant step forward of language models, however, they encounter two critical challenges in practice: 1) expert parameters lead to considerable memory consumption and loading latency; and 2) the current activated experts are redundant, as many tokens may only require a single expert. Motivated by these issues, we investigate the MoE-LLMs and make two key observations: a) different experts exhibit varying behaviors on activation reconstruction error, routing scores, and activated frequencies, highlighting their differing importance, and b) not all tokens are equally important -- only a small subset is critical. Building on these insights, we propose MC-MoE, a training-free Mixture-Compressor for MoE-LLMs, which leverages the significance of both experts and tokens to achieve an extreme compression. First, to mitigate storage and loading overheads, we introduce Pre-Loading Mixed-Precision Quantization, which formulates the adaptive bit-width allocation as a Linear Programming problem, where the objective function balances multi-factors reflecting the importance of each expert. Additionally, we develop Online Dynamic Pruning, which identifies important tokens to retain and dynamically select activated experts for other tokens during inference to optimize efficiency while maintaining performance. Our MC-MoE integrates static quantization and dynamic pruning to collaboratively achieve extreme compression for MoE-LLMs with less accuracy loss, ensuring an optimal trade-off between performance and efficiency. Extensive experiments confirm the effectiveness of our approach. For instance, at 2.54 bits, MC-MoE compresses 76.6% of the model, with only a 3.8% average accuracy loss. During dynamic inference, we further reduce activated parameters by 15%, with a performance drop of less than 0.6%.
SHADE: Deep Density-based Clustering
Authors: Anna Beer, Pascal Weber, Lukas Miklautz, Collin Leiber, Walid Durani, Christian Böhm, Claudia Plant
Date: 2024-10-08 00:00:00
Tasks: Clustering, Deep Clustering

Detecting arbitrarily shaped clusters in high-dimensional noisy data is challenging for current clustering methods. We introduce SHADE (Structure-preserving High-dimensional Analysis with Density-based Exploration), the first deep clustering algorithm that incorporates density-connectivity into its loss function. Similar to existing deep clustering algorithms, SHADE supports high-dimensional and large data sets with the expressive power of a deep autoencoder. In contrast to most existing deep clustering methods that rely on a centroid-based clustering objective, SHADE incorporates a novel loss function that captures density-connectivity. SHADE thereby learns a representation that enhances the separation of density-connected clusters. SHADE detects a stable clustering and noise points fully automatically without any user input. It outperforms existing methods in clustering quality, especially on data that contain non-Gaussian clusters, such as video data. Moreover, the embedded space of SHADE is suitable for visualization and interpretation of the clustering results as the individual shapes of the clusters are preserved.
SymDiff: Equivariant Diffusion via Stochastic Symmetrisation
Authors: Leo Zhang, Kianoosh Ashouritaklimi, Yee Whye Teh, Rob Cornish
Date: 2024-10-08 00:00:00
Tasks: Data Augmentation

We propose SymDiff, a novel method for constructing equivariant diffusion models using the recently introduced framework of stochastic symmetrisation. SymDiff resembles a learned data augmentation that is deployed at sampling time, and is lightweight, computationally efficient, and easy to implement on top of arbitrary off-the-shelf models. Notably, in contrast to previous work, SymDiff typically does not require any neural network components that are intrinsically equivariant, avoiding the need for complex parameterizations and the use of higher-order geometric features. Instead, our method can leverage highly scalable modern architectures as drop-in replacements for these more constrained alternatives. We show that this additional flexibility yields significant empirical benefit on $\mathrm{E}(3)$-equivariant molecular generation. To the best of our knowledge, this is the first application of symmetrisation to generative modelling, suggesting its potential in this domain more generally.
EVOLvE: Evaluating and Optimizing LLMs For Exploration
Authors: Allen Nie, Yi Su, Bo Chang, Jonathan N. Lee, Ed H. Chi, Quoc V. Le, Minmin Chen
Date: 2024-10-08 00:00:00
Tasks: Decision Making Under Uncertainty, Multi-Armed Bandits

Despite their success in many domains, large language models (LLMs) remain under-studied in scenarios requiring optimal decision-making under uncertainty. This is crucial as many real-world applications, ranging from personalized recommendations to healthcare interventions, demand that LLMs not only predict but also actively learn to make optimal decisions through exploration. In this work, we measure LLMs' (in)ability to make optimal decisions in bandits, a state-less reinforcement learning setting relevant to many applications. We develop a comprehensive suite of environments, including both context-free and contextual bandits with varying task difficulties, to benchmark LLMs' performance. Motivated by the existence of optimal exploration algorithms, we propose efficient ways to integrate this algorithmic knowledge into LLMs: by providing explicit algorithm-guided support during inference; and through algorithm distillation via in-context demonstrations and fine-tuning, using synthetic data generated from these algorithms. Impressively, these techniques allow us to achieve superior exploration performance with smaller models, surpassing larger models on various tasks. We conducted an extensive ablation study to shed light on various factors, such as task difficulty and data representation, that influence the efficiency of LLM exploration. Additionally, we conduct a rigorous analysis of the LLM's exploration efficiency using the concept of regret, linking its ability to explore to the model size and underlying algorithm.
Parameter Choice and Neuro-Symbolic Approaches for Deep Domain-Invariant Learning
Authors: Marius-Constantin Dinu
Date: 2024-10-08 00:00:00
Tasks: Domain Adaptation, Model Selection

As artificial intelligence (AI) systems advance, we move towards broad AI: systems capable of performing well on diverse tasks, understanding context, and adapting rapidly to new scenarios. A central challenge for broad AI systems is to generalize over tasks in related domains and being robust to distribution shifts. Neuro-symbolic (NeSy) AI bridges the gap between symbolic and sub-symbolic paradigms to address these challenges, enabling adaptable, generalizable, and more interpretable systems. The development of broad AI requires advancements in domain adaptation (DA), enabling models trained on source domains to effectively generalize to unseen target domains. Traditional approaches often rely on parameter optimization and fine-tuning, which can be impractical due to high costs and risks of catastrophic forgetting. NeSy AI systems use multiple models and methods to generalize to unseen domains and maintain performance across varying conditions. We analyze common DA and NeSy approaches with a focus on deep domain-invariant learning, extending to real-world challenges such as adapting to continuously changing domains and handling large domain gaps. We showcase state-of-the-art model-selection methods for scenarios with limited samples and introduce domain-specific adaptations without gradient-based updates for cases where model tuning is infeasible. This work establishes a framework for scalable and generalizable broad AI systems applicable across various problem settings, demonstrating how symbolic reasoning and large language models can build universal computational graphs that generalize across domains and problems, contributing to more adaptable AI approaches for real-world applications.
Range, not Independence, Drives Modularity in Biologically Inspired Representations
Authors: Will Dorrell, Kyle Hsu, Luke Hollingsworth, Jin Hwa Lee, Jiajun Wu, Chelsea Finn, Peter E Latham, Tim EJ Behrens, James CR Whittington
Date: 2024-10-08 00:00:00

Why do biological and artificial neurons sometimes modularise, each encoding a single meaningful variable, and sometimes entangle their representation of many variables? In this work, we develop a theory of when biologically inspired networks -- those that are nonnegative and energy efficient -- modularise their representation of source variables (sources). We derive necessary and sufficient conditions on a sample of sources that determine whether the neurons in an optimal biologically-inspired linear autoencoder modularise. Our theory applies to any dataset, extending far beyond the case of statistical independence studied in previous work. Rather we show that sources modularise if their support is ``sufficiently spread''. From this theory, we extract and validate predictions in a variety of empirical studies on how data distribution affects modularisation in nonlinear feedforward and recurrent neural networks trained on supervised and unsupervised tasks. Furthermore, we apply these ideas to neuroscience data, showing that range independence can be used to understand the mixing or modularising of spatial and reward information in entorhinal recordings in seemingly conflicting experiments. Further, we use these results to suggest alternate origins of mixed-selectivity, beyond the predominant theory of flexible nonlinear classification. In sum, our theory prescribes precise conditions on when neural activities modularise, providing tools for inducing and elucidating modular representations in brains and machines.
A Timeline and Analysis for Representation Plasticity in Large Language Models
Authors: Akshat Kannan
Date: 2024-10-08 00:00:00

The ability to steer AI behavior is crucial to preventing its long term dangerous and catastrophic potential. Representation Engineering (RepE) has emerged as a novel, powerful method to steer internal model behaviors, such as "honesty", at a top-down level. Understanding the steering of representations should thus be placed at the forefront of alignment initiatives. Unfortunately, current efforts to understand plasticity at this level are highly neglected. This paper aims to bridge the knowledge gap and understand how LLM representation stability, specifically for the concept of "honesty", and model plasticity evolve by applying steering vectors extracted at different fine-tuning stages, revealing differing magnitudes of shifts in model behavior. The findings are pivotal, showing that while early steering exhibits high plasticity, later stages have a surprisingly responsive critical window. This pattern is observed across different model architectures, signaling that there is a general pattern of model plasticity that can be used for effective intervention. These insights greatly contribute to the field of AI transparency, addressing a pressing lack of efficiency limiting our ability to effectively steer model behavior.
Gaussian Variational Schemes on Bounded and Unbounded Domains
Authors: Jonas A. Actor, Anthony Gruber, Eric C. Cyr, Nathaniel Trask
Date: 2024-10-08 00:00:00
Tasks: Form

A machine-learnable variational scheme using Gaussian radial basis functions (GRBFs) is presented and used to approximate linear problems on bounded and unbounded domains. In contrast to standard mesh-free methods, which use GRBFs to discretize strong-form differential equations, this work exploits the relationship between integrals of GRBFs, their derivatives, and polynomial moments to produce exact quadrature formulae which enable weak-form expressions. Combined with trainable GRBF means and covariances, this leads to a flexible, generalized Galerkin variational framework which is applied in the infinite-domain setting where the scheme is conforming, as well as the bounded-domain setting where it is not. Error rates for the proposed GRBF scheme are derived in each case, and examples are presented demonstrating utility of this approach as a surrogate modeling technique.
DataEnvGym: Data Generation Agents in Teacher Environments with Student Feedback
Authors: Zaid Khan, Elias Stengel-Eskin, Jaemin Cho, Mohit Bansal
Date: 2024-10-08 00:00:00
Tasks: Math, Sequential Decision Making, Visual Question Answering (VQA)

The process of creating training data to teach models is currently driven by humans, who manually analyze model weaknesses and plan how to create data that improves a student model. Approaches using LLMs as annotators reduce human effort, but still require humans to interpret feedback from evaluations and control the LLM to produce data the student needs. Automating this labor-intensive process by creating autonomous data generation agents - or teachers - is desirable, but requires environments that can simulate the feedback-driven, iterative, closed loop of data creation. To enable rapid, scalable testing for such agents and their modules, we introduce DataEnvGym, a testbed of teacher environments for data generation agents. DataEnvGym frames data generation as a sequential decision-making task, involving an agent consisting of a data generation policy (which generates a plan for creating training data) and a data generation engine (which transforms the plan into data), inside an environment that provides student feedback. The agent's goal is to improve student performance. Students are iteratively trained and evaluated on generated data, and their feedback (in the form of errors or weak skills) is reported to the agent after each iteration. DataEnvGym includes multiple teacher environment instantiations across 3 levels of structure in the state representation and action space. More structured environments are based on inferred skills and offer more interpretability and curriculum control. We support 4 domains (math, code, VQA, and tool-use) and test multiple students and teachers. Example agents in our teaching environments can iteratively improve students across tasks and settings. Moreover, we show that environments teach different skill levels and test variants of key modules, pointing to future work in improving data generation agents, engines, and feedback mechanisms.
Fair-OBNC: Correcting Label Noise for Fairer Datasets
Authors: Inês Oliveira e Silva, Sérgio Jesus, Hugo Ferreira, Pedro Saleiro, Inês Sousa, Pedro Bizarro, Carlos Soares
Date: 2024-10-08 00:00:00
Tasks: Fairness

Data used by automated decision-making systems, such as Machine Learning models, often reflects discriminatory behavior that occurred in the past. These biases in the training data are sometimes related to label noise, such as in COMPAS, where more African-American offenders are wrongly labeled as having a higher risk of recidivism when compared to their White counterparts. Models trained on such biased data may perpetuate or even aggravate the biases with respect to sensitive information, such as gender, race, or age. However, while multiple label noise correction approaches are available in the literature, these focus on model performance exclusively. In this work, we propose Fair-OBNC, a label noise correction method with fairness considerations, to produce training datasets with measurable demographic parity. The presented method adapts Ordering-Based Noise Correction, with an adjusted criterion of ordering, based both on the margin of error of an ensemble, and the potential increase in the observed demographic parity of the dataset. We evaluate Fair-OBNC against other different pre-processing techniques, under different scenarios of controlled label noise. Our results show that the proposed method is the overall better alternative within the pool of label correction methods, being capable of attaining better reconstructions of the original labels. Models trained in the corrected data have an increase, on average, of 150% in demographic parity, when compared to models trained in data with noisy labels, across the considered levels of label noise.
RL, but don't do anything I wouldn't do
Authors: Michael K. Cohen, Marcus Hutter, Yoshua Bengio, Stuart Russell
Date: 2024-10-08 00:00:00
Tasks: Language Modeling, Language Modelling

In reinforcement learning, if the agent's reward differs from the designers' true utility, even only rarely, the state distribution resulting from the agent's policy can be very bad, in theory and in practice. When RL policies would devolve into undesired behavior, a common countermeasure is KL regularization to a trusted policy ("Don't do anything I wouldn't do"). All current cutting-edge language models are RL agents that are KL-regularized to a "base policy" that is purely predictive. Unfortunately, we demonstrate that when this base policy is a Bayesian predictive model of a trusted policy, the KL constraint is no longer reliable for controlling the behavior of an advanced RL agent. We demonstrate this theoretically using algorithmic information theory, and while systems today are too weak to exhibit this theorized failure precisely, we RL-finetune a language model and find evidence that our formal results are plausibly relevant in practice. We also propose a theoretical alternative that avoids this problem by replacing the "Don't do anything I wouldn't do" principle with "Don't do anything I mightn't do".
Solving robust MDPs as a sequence of static RL problems
Authors: Adil Zouitine, Matthieu Geist, Emmanuel Rachelson
Date: 2024-10-08 00:00:00
Tasks: Reinforcement Learning (RL)

Designing control policies whose performance level is guaranteed to remain above a given threshold in a span of environments is a critical feature for the adoption of reinforcement learning (RL) in real-world applications. The search for such robust policies is a notoriously difficult problem, related to the so-called dynamic model of transition function uncertainty, where the environment dynamics are allowed to change at each time step. But in practical cases, one is rather interested in robustness to a span of static transition models throughout interaction episodes. The static model is known to be harder to solve than the dynamic one, and seminal algorithms, such as robust value iteration, as well as most recent works on deep robust RL, build upon the dynamic model. In this work, we propose to revisit the static model. We suggest an analysis of why solving the static model under some mild hypotheses is a reasonable endeavor, based on an equivalence with the dynamic model, and formalize the general intuition that robust MDPs can be solved by tackling a series of static problems. We introduce a generic meta-algorithm called IWOCS, which incrementally identifies worst-case transition models so as to guide the search for a robust policy. Discussion on IWOCS sheds light on new ways to decouple policy optimization and adversarial transition functions and opens new perspectives for analysis. We derive a deep RL version of IWOCS and demonstrate it is competitive with state-of-the-art algorithms on classical benchmarks.
A mechanistically interpretable neural network for regulatory genomics
Authors: Alex M. Tseng, Gokcen Eraslan, Tommaso Biancalani, Gabriele Scalia
Date: 2024-10-08 00:00:00

Deep neural networks excel in mapping genomic DNA sequences to associated readouts (e.g., protein-DNA binding). Beyond prediction, the goal of these networks is to reveal to scientists the underlying motifs (and their syntax) which drive genome regulation. Traditional methods that extract motifs from convolutional filters suffer from the uninterpretable dispersion of information across filters and layers. Other methods which rely on importance scores can be unstable and unreliable. Instead, we designed a novel mechanistically interpretable architecture for regulatory genomics, where motifs and their syntax are directly encoded and readable from the learned weights and activations. We provide theoretical and empirical evidence of our architecture's full expressivity, while still being highly interpretable. Through several experiments, we show that our architecture excels in de novo motif discovery and motif instance calling, is robust to variable sequence contexts, and enables fully interpretable generation of novel functional sequences.