Ziniu Li, Tian Xu, Yushun Zhang, Zhihang Lin, Yang Yu, Ruoyu Sun, Zhi-Quan Luo

Reinforcement Learning from Human Feedback (RLHF) is key to aligning Large Language Models (LLMs), typically paired with the Proximal Policy Optimization (PPO) algorithm. While PPO is a powerful method designed for general reinforcement learning tasks, it is overly sophisticated for LLMs, leading to laborious hyper-parameter tuning and significant computation burdens. To make RLHF efficient, we present ReMax, which leverages 3 properties of RLHF: fast simulation, deterministic transitions, and trajectory-level rewards. These properties are not exploited in PPO, making it less suitable for RLHF. Building on the renowned REINFORCE algorithm, ReMax does not require training an additional value model as in PPO and is further enhanced with a new variance reduction technique. ReMax offers several benefits over PPO: it is simpler to implement, eliminates more than 4 hyper-parameters in PPO, reduces GPU memory usage, and shortens training time. ReMax can save about 46% GPU memory than PPO when training a 7B model and enables training on A800-80GB GPUs without the memory-saving offloading technique needed by PPO. Applying ReMax to a Mistral-7B model resulted in a 94.78% win rate on the AlpacaEval leaderboard and a 7.739 score on MT-bench, setting a new SOTA for open-source 7B models. These results show the effectiveness of ReMax while addressing the limitations of PPO in LLMs.

Charline Le Lan, Stephen Tu, Adam Oberman, Rishabh Agarwal, Marc G. Bellemare

In reinforcement learning, state representations are used to tractably deal with large problem spaces. State representations serve both to approximate the value function with few parameters, but also to generalize to newly encountered states. Their features may be learned implicitly (as part of a neural network) or explicitly (for example, the successor representation of Dayan(1993). While the approximation properties of representations are reasonably well-understood, a precise characterization of how and when these representations generalize is lacking. In this work, we address this gap and provide an informative bound on the generalization error arising from a specific state representation. This bound is based on the notion of effective dimension which measures the degree to which knowing the value at one state informs the value at other states. Our bound applies to any state representation and quantifies the natural tension between representations that generalize well and those that approximate well. We complement our theoretical results with an empirical survey of classic representation learning methods from the literature and results on the Arcade Learning Environment, and find that the generalization behaviour of learned representations is well-explained by their effective dimension.

Dmitry Baranchuk, Dmitry Persiyanov, Anton Sinitsin, Artem Babenko

Recently similarity graphs became the leading paradigm for efficient nearest neighbor search, outperforming traditional tree-based and LSH-based methods. Similarity graphs perform the search via greedy routing: a query traverses the graph and in each vertex moves to the adjacent vertex that is the closest to this query. In practice, similarity graphs are often susceptible to local minima, when queries do not reach its nearest neighbors, getting stuck in suboptimal vertices. In this paper we propose to learn the routing function that overcomes local minima via incorporating information about the graph global structure. In particular, we augment the vertices of a given graph with additional representations that are learned to provide the optimal routing from the start vertex to the query nearest neighbor. By thorough experiments, we demonstrate that the proposed learnable routing successfully diminishes the local minima problem and significantly improves the overall search performance.

Kai Li, Runxuan Yang, Fuchun Sun, Xiaolin Hu

Recent research has made significant progress in designing fusion modules for audio-visual speech separation. However, they predominantly focus on multi-modal fusion at a single temporal scale of auditory and visual features without employing selective attention mechanisms, which is in sharp contrast with the brain. To address this, We propose a novel model called intra- and inter-attention network (IIANet), which leverages the attention mechanism for efficient audio-visual feature fusion. IIANet consists of two types of attention blocks: intra-attention (IntraA) and inter-attention (InterA) blocks, where the InterA blocks are distributed at the top, middle and bottom of IIANet. Heavily inspired by the way how human brain selectively focuses on relevant content at various temporal scales, these blocks maintain the ability to learn modality-specific features and enable the extraction of different semantics from audio-visual features. Comprehensive experiments on three standard audio-visual separation benchmarks (LRS2, LRS3, and VoxCeleb2) demonstrate the effectiveness of IIANet, outperforming previous state-of-the-art methods while maintaining comparable inference time. In particular, the fast version of IIANet (IIANet-fast) has only 7% of CTCNet’s MACs and is 40% faster than CTCNet on CPUs while achieving better separation quality, showing the great potential of attention mechanism for efficient and effective multimodal fusion.

Gholamali Aminian, Mahed Abroshan, Mohammad Mahdi Khalili, Laura Toni, Miguel Rodrigues

A common assumption in semi-supervised learning is that the labeled, unlabeled, and test data are drawn from the same distribution. However, this assumption is not satisfied in many applications. In many scenarios, the data is collected sequentially (e.g., healthcare) and the distribution of the data may change over time often exhibiting so-called covariate shifts. In this paper, we propose an approach for semi-supervised learning algorithms that is capable of addressing this issue. Our framework also recovers some popular methods, including entropy minimization and pseudo-labeling. We provide new information-theoretical based generalization error upper bounds inspired by our novel framework. Our bounds are applicable to both general semi-supervised learning and the covariate-shift scenario. Finally, we show numerically that our method outperforms previous approaches proposed for semi-supervised learning under the covariate shift.

Yongtuo Liu, Sara Magliacane, Miltiadis (Miltos) Kofinas, Efstratios Gavves

Hybrid dynamical systems are prevalent in science and engineering to express complex systems with continuous and discrete states. To learn laws of systems, all previous methods for equation discovery in hybrid systems follow a two-stage paradigm, i.e. they first group time series into small cluster fragments and then discover equations in each fragment separately through methods in non-hybrid systems. Although effective, performance is then limited because these methods ignore the commonalities in the shared dynamics of fragments that are driven by the same equations. Besides, the two-stage paradigm breaks the interdependence between categorizing and representing dynamics that jointly form hybrid systems. In this paper, we reformulate the problem and propose an end-to-end learning framework, i.e. Amortized Equation Discovery (AMORE), to jointly categorize modes and discover equations characterizing motion dynamics of each mode by all segments of the mode. Experiments on four hybrid and six non-hybrid systems demonstrate the superior performance of our method against previous methods on equation discovery, segmentation, and forecasting.

Juan Perdomo

Algorithmic predictions are increasingly used to inform the allocations of goods and interventions in the public sphere. In these domains, predictions serve as a means to an end. They provide stakeholders with insights into likelihood of future events as a means to improve decision making quality, and enhance social welfare. However, if maximizing welfare is the ultimate goal, prediction is only a small piece of the puzzle. There are various other policy levers a social planner might pursue in order to improve bottom-line outcomes, such as expanding access to available goods, or increasing the effect sizes of interventions. Given this broad range of design decisions, a basic question to ask is: What is the relative value of prediction in algorithmic decision making? How do the improvements in welfare arising from better predictions compare to those of other policy levers? The goal of our work is to initiate the formal study of these questions. Our main results are theoretical in nature. We identify simple, sharp conditions determining the relative value of prediction vis-à-vis expanding access, within several statistical models that are popular amongst quantitative social scientists. Furthermore, we illustrate how these theoretical insights can guide the design of algorithmic decision making systems in practice.

Jungtaek Kim, Seungjin Choi

Sequential model-based optimization sequentially selects a candidate point by constructing a surrogate model with the history of evaluations, to solve a black-box optimization problem. Gaussian process (GP) regression is a popular choice as a surrogate model, because of its capability of calculating prediction uncertainty analytically. On the other hand, an ensemble of randomized trees is another option and has practical merits over GPs due to its scalability and easiness of handling continuous/discrete mixed variables. In this paper we revisit various ensembles of randomized trees to investigate their behavior in the perspective of prediction uncertainty estimation. Then, we propose a new way of constructing an ensemble of randomized trees, referred to as BwO forest, where bagging with oversampling is employed to construct bootstrapped samples that are used to build randomized trees with random splitting. Experimental results demonstrate the validity and good performance of BwO forest over existing tree-based models in various circumstances.

Francesco Orabona, Tamir Hazan, Anand Sarwate, Tommi Jaakkola

The maximum a-posteriori (MAP) perturbation framework has emerged as a useful approach for inference and learning in high dimensional complex models. By maximizing a randomly perturbed potential function, MAP perturbations generate unbiased samples from the Gibbs distribution. Unfortunately, the computational cost of generating so many high-dimensional random variables can be prohibitive. More efficient algorithms use sequential sampling strategies based on the expected value of low dimensional MAP perturbations. This paper develops new measure concentration inequalities that bound the number of samples needed to estimate such expected values. Applying the general result to MAP perturbations can yield a more efficient algorithm to approximate sampling from the Gibbs distribution. The measure concentration result is of general interest and may be applicable to other areas involving Monte Carlo estimation of expectations.

Xuantong Liu, Tianyang Hu, Wenjia Wang, Kenji Kawaguchi, Yuan Yao

As a dominant force in text-to-image generation tasks, Diffusion Probabilistic Models (DPMs) face a critical challenge in controllability, struggling to adhere strictly to complex, multi-faceted instructions. In this work, we aim to address this alignment challenge for conditional generation tasks. First, we provide an alternative view of state-of-the-art DPMs as a way of inverting advanced Vision-Language Models (VLMs). With this formulation, we naturally propose a training-free approach that bypasses the conventional sampling process associated with DPMs. By directly optimizing images with the supervision of discriminative VLMs, the proposed method can potentially achieve a better text-image alignment. As proof of concept, we demonstrate the pipeline with the pre-trained BLIP-2 model and identify several key designs for improved image generation. To further enhance the image fidelity, a Score Distillation Sampling module of Stable Diffusion is incorporated. By carefully balancing the two components during optimization, our method can produce high-quality images with near state-of-the-art performance on T2I-Compbench. The code is available at https://github.com/Pepper-lll/VLMinv.

Luca M. Schulze Buschoff, Eric Schulz, Marcel Binz

As children grow older, they develop an intuitive understanding of the physical processes around them. Their physical understanding develops in stages, moving along developmental trajectories which have been mapped out extensively in previous empirical research. Here, we investigate how the learning trajectories of deep generative neural networks compare to children's developmental trajectories using physical understanding as a testbed. We outline an approach that allows us to examine two distinct hypotheses of human development -- stochastic optimization and complexity increase. We find that while our models are able to accurately predict a number of physical processes, their learning trajectories under both hypotheses do not follow the developmental trajectories of children.

Pablo Barros, German Parisi, Stefan Wermter

Recent models of emotion recognition strongly rely on supervised deep learning solutions for the distinction of general emotion expressions. However, they are not reliable when recognizing online and personalized facial expressions, e.g., for person-specific affective understanding. In this paper, we present a neural model based on a conditional adversarial autoencoder to learn how to represent and edit general emotion expressions. We then propose Grow-When-Required networks as personalized affective memories to learn individualized aspects of emotional expressions. Our model achieves state-of-the-art performance on emotion recognition when evaluated on in-the-wild datasets. Furthermore, our experiments include ablation studies and neural visualizations in order to explain the behavior of our model.

Peter Bartlett, Victor Gabillon, Jennifer Healey, Michal Valko

We address the problem of planning in an environment with deterministic dynamics and stochastic discounted rewards under a limited numerical budget where the ranges of both rewards and noise are unknown. We introduce PlaTypOOS, an adaptive, robust, and efficient alternative to the OLOP (open-loop optimistic planning) algorithm. Whereas OLOP requires a priori knowledge of the ranges of both rewards and noise, PlaTypOOS dynamically adapts its behavior to both. This allows PlaTypOOS to be immune to two vulnerabilities of OLOP: failure when given underestimated ranges of noise and rewards and inefficiency when these are overestimated. PlaTypOOS additionally adapts to the global smoothness of the value function. PlaTypOOS acts in a provably more efficient manner vs. OLOP when OLOP is given an overestimated reward and show that in the case of no noise, PlaTypOOS learns exponentially faster.

Alexander Camuto, Matthew Willetts

In this work we study Variational Autoencoders (VAEs) from the perspective of harmonic analysis. By viewing a VAE’s latent space as a Gaussian Space, a variety of measure space, we derive a series of results that show that the encoder variance of a VAE controls the frequency content of the functions parameterised by the VAE encoder and decoder neural networks. In particular we demonstrate that larger encoder variances reduce the high frequency content of these functions. Our analysis allows us to show that increasing this variance effectively induces a soft Lipschitz constraint on the decoder network of a VAE, which is a core contributor to the adversarial robustness of VAEs. We further demonstrate that adding Gaussian noise to the input of a VAE allows us to more finely control the frequency content and the Lipschitz constant of the VAE encoder networks. Finally, we show that the KL term of the VAE loss serves as single point of action for modulating the frequency content of both encoder and decoder networks; whereby upweighting this term decreases the high-frequency content of both networks. To support our theoretical analysis we run experiments using VAEs with small fully-connected neural networks and with larger convolutional networks, demonstrating empirically that our theory holds for a variety of neural network architectures.

Ke Liu, Weian Mao, Shuaike Shen, Xiaoran Jiao, Zheng Sun, Hao Chen, Chunhua Shen

Motif scaffolding seeks to design scaffold structures for constructing proteins with functions derived from the desired motif, which is crucial for the design of vaccines and enzymes. Previous works approach the problem by inpainting or conditional generation. Both of them can only scaffold motifs with fixed positions, and the conditional generation cannot guarantee the presence of motifs. However, prior knowledge of the relative motif positions in a protein is not readily available, and constructing a protein with multiple functions in one protein is more general and significant because of the synergies between functions. We propose a Floating Anchor Diffusion (FADiff) model. FADiff allows motifs to float rigidly and independently in the process of diffusion, which guarantees the presence of motifs and automates the motif position design. Our experiments demonstrate the efficacy of FADiff with high success rates and designable novel scaffolds. To the best of our knowledge, FADiff is the first work to tackle the challenge of scaffolding multiple motifs without relying on the expertise of relative motif positions in the protein. Code is available at https://github.com/aim-uofa/FADiff.

Georgios Arvanitidis, Bogdan M. Georgiev, Bernhard Schölkopf

Stochastic generative models enable us to capture the geometric structure of a data manifold lying in a high dimensional space through a Riemannian metric in the latent space. However, its practical use is rather limited mainly due to inevitable functionality problems and computational complexity. In this work we propose a surrogate conformal Riemannian metric in the latent space of a generative model that is simple, efficient and robust. This metric is based on a learnable prior that we propose to learn using a basic energy-based model. We theoretically analyze the behavior of the proposed metric and show that it is sensible to use in practice. We demonstrate experimentally the efficiency and robustness, as well as the behavior of the new approximate metric. Also, we show the applicability of the proposed methodology for data analysis in the life sciences.

Lin Lu, Chenxi Dai, Wangcheng Tao, Binhang Yuan, Yanan Sun, Pan Zhou

Modern machine learning applications increasingly demand greater computational resources for training large models. Decentralized training has emerged as an effective means to democratize this technology. However, the potential threats associated with this approach remain inadequately discussed, posing a hurdle to the development of decentralized training infrastructures. This paper aims to initiate discussion towards this end by exploring the robustness of decentralized training from three primary perspectives. Firstly, we articulate our position on establishing robust decentralized training by outlining potential threats and the corresponding countermeasures. Secondly, we illustrate a nascent poisoning attack targeting decentralized training frameworks, easily executable by malicious stages. To mitigate this security threat and ensure efficient training, we propose a robust training framework, integrating a 100% detection strategy and efficient training mechanisms. Finally, we demonstrate the severity of the proposed attack and the effectiveness of our robust training framework. This position paper emphasizes the urgency of exploring the robustness of decentralized training and proposes a feasible solution. The code is available at https://github.com/dcx001016/pipeline_attack.

Fredrik K. Gustafsson, Martin Danelljan, Thomas B. Schön

Energy-based models (EBMs) have experienced a resurgence within machine learning in recent years, including as a promising alternative for probabilistic regression. However, energy-based regression requires a proposal distribution to be manually designed for training, and an initial estimate has to be provided at test-time. We address both of these issues by introducing a conceptually simple method to automatically learn an effective proposal distribution, which is parameterized by a separate network head. To this end, we derive a surprising result, leading to a unified training objective that jointly minimizes the KL divergence from the proposal to the EBM, and the negative log-likelihood of the EBM. At test-time, we can then employ importance sampling with the trained proposal to efficiently evaluate the learned EBM and produce stand-alone predictions. Furthermore, we utilize our derived training objective to learn mixture density networks (MDNs) with a jointly trained energy-based teacher, consistently outperforming conventional MDN training on four real-world regression tasks within computer vision. Code is available at https://github.com/fregu856/ebms_proposals.

Alexandra Hotti, Oskar Kviman, Ricky Molén, Víctor Elvira, Jens Lagergren

Mixture variational distributions in black box variational inference (BBVI) have demonstrated impressive results in challenging density estimation tasks. However, currently scaling the number of mixture components can lead to a linear increase in the number of learnable parameters and a quadratic increase in inference time due to the evaluation of the evidence lower bound (ELBO). Our two key contributions address these limitations. First, we introduce the novel Multiple Importance Sampling Variational Autoencoder (MISVAE), which amortizes the mapping from input to mixture-parameter space using one-hot encodings. Fortunately, with MISVAE, each additional mixture component incurs a negligible increase in network parameters. Second, we construct two new estimators of the ELBO for mixtures in BBVI, enabling a tremendous reduction in inference time with marginal or even improved impact on performance. Collectively, our contributions enable scalability to hundreds of mixture components and provide superior estimation performance in shorter time, with fewer network parameters compared to previous Mixture VAEs. Experimenting with MISVAE, we achieve astonishing, SOTA results on MNIST. Furthermore, we empirically validate our estimators in other BBVI settings, including Bayesian phylogenetic inference, where we improve inference times for the SOTA mixture model on eight data sets.

Daniel Vial, Advait Parulekar, Sanjay Shakkottai, R Srikant

For the misspecified linear Markov decision process (MLMDP) model of Jin et al. [2020], we propose an algorithm with three desirable properties. (P1) Its regret after K episodes scales as Kmax{\ensuremath{\varepsilon}mis,\ensuremath{\varepsilon}tol}, where \ensuremath{\varepsilon}mis is the degree of misspecification and \ensuremath{\varepsilon}tol is a user-specified error tolerance. (P2) Its space and per-episode time complexities remain bounded as $K\to \infty$. (P3) It does not require \ensuremath{\varepsilon}mis as input. To our knowledge, this is the first algorithm satisfying all three properties. For concrete choices of \ensuremath{\varepsilon}tol, we also improve existing regret bounds (up to log factors) while achieving either (P2) or (P3) (existing algorithms satisfy neither). At a high level, our algorithm generalizes (to MLMDPs) and refines the Sup-Lin-UCB algorithm, which Takemura et al. [2021] recently showed satisfies (P3) in the contextual bandit setting. We also provide an intuitive interpretation of their result, which informs the design of our algorithm.

Mingju Liu, Yingjie Li, Jiaqi Yin, Zhiru Zhang, CUNXI YU

This paper addresses the complex issue of resource-constrained scheduling, an NP-hard problem that spans critical areas including chip design and high-performance computing. Traditional scheduling methods often stumble over scalability and applicability challenges. We propose a novel approach using a differentiable combinatorial scheduling framework, utilizing Gumbel-Softmax differentiable sampling technique. This new technical allows for a fully differentiable formulation of linear programming (LP) based scheduling, extending its application to a broader range of LP formulations. To encode inequality constraints for scheduling tasks, we introduce *constrained Gumbel Trick*, which adeptly encodes arbitrary inequality constraints. Consequently, our method facilitates an efficient and scalable scheduling via gradient descent without the need for training data. Comparative evaluations on both synthetic and real-world benchmarks highlight our capability to significantly improve the optimization efficiency of scheduling, surpassing state-of-the-art solutions offered by commercial and open-source solvers such as CPLEX, Gurobi, and CP-SAT in the majority of the designs.

Preetish Rath, Michael Hughes

Early warning prediction systems can suffer from high false alarm rates that limit utility, especially in settings with high class imbalance such as healthcare. Despite the widespread need to control false alarms, the dominant classifier training paradigm remains minimizing cross entropy, a loss function which does not treat false alarms differently than other types of mistakes. While existing efforts often try to reduce false alarms by post-hoc threshold selection after training, we suggest a comprehensive solution by changing the loss function used to train the classifier. Our proposed objective maximizes recall while enforcing a constraint requiring precision to exceed a specified value. We make our objective tractable for gradient-based optimization by developing tight sigmoidal bounds on the counts needed to compute precision and recall. Our objective is applicable to any classifier trainable via gradient descent, including linear models and neural networks. When predicting mortality risk across two large hospital datasets, we show how our method satisfies a desired constraint on false alarms while achieving better recall than alternatives.

Arjun Karuvally, Terrence Sejnowski, Hava Siegelmann

Traveling waves are a fundamental phenomenon in the brain, playing a crucial role in short-term information storage. In this study, we leverage the concept of traveling wave dynamics within a neural lattice to formulate a theoretical model of neural working memory in Recurrent Neural Networks (RNNs), study its properties, and its real world implications in AI. The proposed model diverges from traditional approaches, which assume information storage in static, register-like locations updated by interference. Instead, the model stores data as waves that is updated by the wave's boundary conditions. We rigorously examine the model's capabilities in representing and learning state histories, which are vital for learning history-dependent dynamical systems. The findings reveal that the model reliably stores external information and enhances the learning process by addressing the diminishing gradient problem of RNNs. To understand the model's real-world applicability, we explore two cases: linear boundary condition and non-linear, self-attention-driven boundary condition. The experiments reveal that the linear scenario is effectively *learned* by RNNs through backpropagation when modeling history-dependent dynamical systems. Conversely, the non-linear scenario parallels an attention-only transformer. Collectively, our findings suggest the broader relevance of traveling waves in AI and its potential in advancing neural network architectures.

Lu Yin, You Wu, Zhenyu Zhang, Cheng-Yu Hsieh, Yaqing Wang, Yiling Jia, Gen Li, Ajay Jaiswal, Mykola Pechenizkiy, Yi Liang, Michael Bendersky, Zhangyang “Atlas” Wang, Shiwei Liu

Large Language Models (LLMs), renowned for their remarkable performance across diverse domains, present a challenge due to their colossal model size when it comes to practical deployment. In response to this challenge, efforts have been directed toward the application of traditional network pruning techniques to LLMs, uncovering a massive number of parameters can be pruned in one-shot without hurting performance. Building upon insights gained from pre-LLM models, particularly BERT-level language models, prevailing LLM pruning strategies have consistently adhered to the practice of uniformly pruning all layers at equivalent sparsity levels, resulting in robust performance. However, this observation stands in contrast to the prevailing trends observed in the field of vision models, where non-uniform layerwise sparsity typically yields substantially improved results. To elucidate the underlying reasons for this disparity, we conduct a comprehensive analysis of the distribution of token features within LLMs. In doing so, we discover a strong correlation with the emergence of outliers, defined as features exhibiting significantly greater magnitudes compared to their counterparts in feature dimensions. Inspired by this finding, we introduce a novel LLM pruning methodology that incorporates a tailored set of **non-uniform layerwise sparsity ratios** specifically designed for LLM pruning, termed as **O**utlier **W**eighed **L**ayerwise sparsity (**OWL**). The sparsity ratio of OWL is directly proportional to the outlier ratio observed within each layer, facilitating a more effective alignment between layerwise weight sparsity and outlier ratios. Our empirical evaluation, conducted across the LLaMA-V1/V2, Vicuna, OPT, and Mistral, spanning various benchmarks, demonstrates the distinct advantages offered by OWL over previous methods. For instance, OWL exhibits a remarkable performance gain, surpassing the state-of-the-art Wanda and SparseGPT by **61.22** and **6.80** perplexity at a high sparsity level of 70%, respectively, while delivering **2.6$\times$** end-to-end inference speed-up in the DeepSparse inference engine. Code is available at https://github.com/luuyin/OWL.git.

Chuyang Ke, Jean Honorio

In this paper, we study the problem of recovering the community structure of a network under federated myopic learning. Under this paradigm, we have several clients, each of them having a myopic view, i.e., observing a small subgraph of the network. Each client sends a censored evidence graph to a central server. We provide an efficient algorithm, which computes a consensus signed weighted graph from clients evidence, and recovers the underlying network structure in the central server. We analyze the topological structure conditions of the network, as well as the signal and noise levels of the clients that allow for recovery of the network structure. Our analysis shows that exact recovery is possible and can be achieved in polynomial time. In addition, our experiments show that in an extremely sparse network with 10000 nodes, our method can achieve exact recovery of the community structure even if every client has access to only 20 nodes. We also provide information-theoretic limits for the central server to recover the network structure from any single client evidence. Finally, as a byproduct of our analysis, we provide a novel Cheeger-type inequality for general signed weighted graphs.

Lucas Spangher, Allen Wang, Andrew Maris, Myles Stapelberg, Viraj Mehta, Alex Saperstein, Stephen Lane-Walsh, Akshata Moharir, Alessandro Pau, Cristina Rea

Magnetic confinement fusion may one day provide reliable, carbon-free energy, but the field currently faces technical hurdles. In this position paper, we highlight six key research challenges in the field of fusion energy that we believe should be research priorities for the Machine Learning (ML) community because they are especially ripe for ML applications: (1) disruption prediction, (2) simulation and dynamics modeling (3) resolving partially observed data, (4) improving controls, (5) guiding experiments with optimal design, and (6) enhancing materials discovery. For each problem, we give background, review past ML work, suggest features of future models, and list challenges and idiosyncrasies facing ML development. We also discuss ongoing efforts to update the fusion data ecosystem and identify opportunities further down the line that will be enabled as fusion and its data infrastructure advance. It is our position that fusion energy offers especially exciting opportunities for ML practitioners to impact decarbonization and the future of energy.

Raunaq Bhirangi, Chenyu Wang, Venkatesh Pattabiraman, Carmel Majidi, Abhinav Gupta, Tess Hellebrekers, Lerrel Pinto

Reasoning from sequences of raw sensory data is a ubiquitous problem across fields ranging from medical devices to robotics. These problems often involve using long sequences of raw sensor data (e.g. magnetometers, piezoresistors) to predict sequences of desirable physical quantities (e.g. force, inertial measurements). While classical approaches are powerful for locally-linear prediction problems, they often fall short when using real-world sensors. These sensors are typically non-linear, are affected by extraneous variables (e.g. vibration), and exhibit data-dependent drift. For many problems, the prediction task is exacerbated by small labeled datasets since obtaining ground-truth labels requires expensive equipment. In this work, we present Hierarchical State-Space models (HiSS), a conceptually simple, new technique for continuous sequential prediction. HiSS stacks structured state-space models on top of each other to create a temporal hierarchy. Across six real-world sensor datasets, from tactile-based state prediction to accelerometer-based inertial measurement, HiSS outperforms state-of-the-art sequence models such as causal Transformers, LSTMs, S4, and Mamba by at least 23% on MSE. Our experiments further indicate that HiSS demonstrates efficient scaling to smaller datasets and is compatible with existing data-filtering techniques. Code, datasets and videos can be found on https://hiss-csp.github.io.

Ren-Jian Wang, Ke Xue, Cong Guan, Chao Qian

Quality-Diversity (QD) algorithms have emerged as a powerful optimization paradigm with the aim of generating a set of high-quality and diverse solutions. To achieve such a challenging goal, QD algorithms require maintaining a large archive and a large population in each iteration, which brings two main issues, sample and resource efficiency. Most advanced QD algorithms focus on improving the sample efficiency, while the resource efficiency is overlooked to some extent. Particularly, the resource overhead during the training process has not been touched yet, hindering the wider application of QD algorithms. In this paper, we highlight this important research question, i.e., how to efficiently train QD algorithms with limited resources, and propose a novel and effective method called RefQD to address it. RefQD decomposes a neural network into representation and decision parts, and shares the representation part with all decision parts in the archive to reduce the resource overhead. It also employs a series of strategies to address the mismatch issue between the old decision parts and the newly updated representation part. Experiments on different types of tasks from small to large resource consumption demonstrate the excellent performance of RefQD: it not only uses significantly fewer resources (e.g., 16% GPU memories on QDax and 3.7% on Atari) but also achieves comparable or better performance compared to sample-efficient QD algorithms. Our code is available at [https://github.com/lamda-bbo/RefQD](https://github.com/lamda-bbo/RefQD).

Tom Yan, Chicheng Zhang

The growing use of machine learning models in consequential settings has highlighted an important and seemingly irreconcilable tension between transparency and vulnerability to gaming. While this has sparked sizable debate in legal literature, there has been comparatively less technical study of this contention. In this work, we propose a clean-cut formulation of this tension and a way to make the tradeoff between transparency and gaming. We identify the source of gaming as being points close to the decision boundary of the model. And we initiate an investigation on how to provide example-based explanations that are expansive and yet consistent with a version space that is sufficiently uncertain with respect to the boundary points’ labels. Finally, we furnish our theoretical results with empirical investigations of this tradeoff on real-world datasets.

Jingxuan He, Mark Vero, Gabriela Krasnopolska, Martin Vechev

Modern language models (LMs) have gained widespread acceptance in everyday and professional contexts, particularly in programming. An essential procedure enabling this adoption is instruction tuning, which substantially enhances LMs' practical utility by training them to follow user instructions and human preferences. However, existing instruction tuning schemes overlook a crucial aspect: the security of generated code. As a result, even the state-of-the-art instruction-tuned LMs frequently produce unsafe code, posing significant security risks. In this work, we introduce SafeCoder to address this gap. SafeCoder performs security-centric fine-tuning using a diverse and high-quality dataset that we collected using an automated pipeline. We integrate the security fine-tuning with standard instruction tuning, to facilitate a joint optimization of both security and utility. Despite its simplicity, we show that SafeCoder is effective across a variety of popular LMs and datasets. It is able to drastically improve security (by about 30%), while preserving utility.

Yaniv Tenzer, Omer Dror, Boaz Nadler, Erhan Bilal, Yuval Kluger

Merging the predictions of multiple experts is a frequent task. When ground-truth response values are available, this merging is often based on the estimated accuracies of the experts. In various applications, however, the only available information are the experts’ predictions on unlabeled test data, which do not allow to directly estimate their accuracies. Moreover, simple merging schemes such as majority voting in classification or the ensemble mean or median in regression, are clearly sub-optimal when some experts are more accurate than others. Focusing on regression tasks, in this work we propose U-PCR, a framework for unsupervised ensemble regression. Specifically, we develop spectral-based methods that under mild assumptions and in the absence of ground truth data, are able to estimate the mean squared error of the different experts and combine their predictions to a more accurate meta-learner. We provide theoretical support for U-PCR as well as empirical evidence for the validity of its underlying assumptions. On a variety of regression problems, we illustrate the improved accuracy of U-PCR over various unsupervised merging strategies. Finally, we also illustrate its applicability to unsupervised multi-class ensemble learning.

Soumya Basu, Steven Gutstein, Brent Lance, Sanjay Shakkottai

We study an online and streaming unsupervised classification system. Our setting consists of a collection of classifiers (with unknown confusion matrices) each of which can classify one sample per unit time, and which are accessed by a stream of unlabeled samples. Each sample is dispatched to one or more classifiers, and depending on the labels collected from these classifiers, may be sent to other classifiers to collect additional labels. The labels are continually aggregated. Once the aggregated label has high enough accuracy (a pre-specified threshold for accuracy) or the sample is sent to all the classifiers, the now labeled sample is ejected from the system. For any given pre-specified threshold for accuracy, the objective is to sustain the maximum possible rate of arrival of new samples, such that the number of samples in memory does not grow unbounded. In this paper, we characterize the Pareto-optimal region of accuracy and arrival rate, and develop an algorithm that can operate at any point within this region. Our algorithm uses queueing-based routing and scheduling approaches combined with novel online tensor decomposition method to learn the hidden parameters, to Pareto-optimality guarantees. We finally verify our theoretical results through simulations on two ensembles formed using AlexNet, VGG, and ResNet deep image classifiers.

Idan Attias, Gintare Karolina Dziugaite, Mahdi Haghifam, Roi Livni, Daniel Roy

In this work, we investigate the interplay between memorization and learning in the context of *stochastic convex optimization* (SCO). We define memorization via the information a learning algorithm reveals about its training data points. We then quantify this information using the framework of conditional mutual information (CMI) proposed by Steinke and Zakynthinou (2020). Our main result is a precise characterization of the tradeoff between the accuracy of a learning algorithm and its CMI, answering an open question posed by Livni (2023). We show that, in the $L^2$ Lipschitz--bounded setting and under strong convexity, every learner with an excess error $ϵ$ has CMI bounded below by $\Omega (1/{ϵ}^2)$ and $\Omega (1/ϵ)$, respectively. We further demonstrate the essential role of memorization in learning problems in SCO by designing an adversary capable of accurately identifying a significant fraction of the training samples in specific SCO problems. Finally, we enumerate several implications of our results, such as a limitation of generalization bounds based on CMI and the incompressibility of samples in SCO problems.

Jiacheng Zhu, Kristjan Greenewald, Kimia Nadjahi, Haitz Sáez de Ocáriz Borde, Rickard Gabrielsson, Leshem Choshen, Marzyeh Ghassemi, Mikhail Yurochkin, Justin Solomon

Parameter-efficient fine-tuning optimizes large, pre-trained foundation models by updating a subset of parameters; in this class, Low-Rank Adaptation (LoRA) is particularly effective. Inspired by an effort to investigate the different roles of LoRA matrices during fine-tuning, this paper characterizes and leverages unexpected asymmetry in the importance of low-rank adapter matrices. Specifically, when updating the parameter matrices of a neural network by adding a product $BA$, we observe that the $B$ and $A$ matrices have distinct functions: $A$ extracts features from the input, while $B$ uses these features to create the desired output. Based on this observation, we demonstrate that fine-tuning $B$ is inherently more effective than fine-tuning $A$, and that a random untrained $A$ should perform nearly as well as a fine-tuned one. Using an information-theoretic lens, we also bound the generalization of low-rank adapters, showing that the parameter savings of exclusively training $B$ improves the bound. We support our conclusions with experiments on RoBERTa, BART-Large, LLaMA-2, and ViTs. The code and data is available at https://github.com/Jiacheng-Zhu-AIML/AsymmetryLoRA

Edwige Cyffers, Aurélien Bellet

Analyzing data owned by several parties while achieving a good trade-off between utility and privacy is a key challenge in federated learning and analytics. In this work, we introduce a novel relaxation of local differential privacy (LDP) that naturally arises in fully decentralized algorithms, i.e., when participants exchange information by communicating along the edges of a network graph without central coordinator. This relaxation, that we call network DP, captures the fact that users have only a local view of the system. To show the relevance of network DP, we study a decentralized model of computation where a token performs a walk on the network graph and is updated sequentially by the party who receives it. For tasks such as real summation, histogram computation and optimization with gradient descent, we propose simple algorithms on ring and complete topologies. We prove that the privacy-utility trade-offs of our algorithms under network DP significantly improve upon what is achievable under LDP, and often match the utility of the trusted curator model. Our results show for the first time that formal privacy gains can be obtained from full decentralization. We also provide experiments to illustrate the improved utility of our approach for decentralized training with stochastic gradient descent.

Ming-Kun Xie, Jia-Hao Xiao, Pei Peng, Gang Niu, Masashi Sugiyama, Sheng-Jun Huang

The key to multi-label image classification (MLC) is to improve model performance by leveraging label correlations. Unfortunately, it has been shown that overemphasizing co-occurrence relationships can cause the overfitting issue of the model, ultimately leading to performance degradation. In this paper, we provide a causal inference framework to show that the correlative features caused by the target object and its co-occurring objects can be regarded as a mediator, which has both positive and negative impacts on model predictions. On the positive side, the mediator enhances the recognition performance of the model by capturing co-occurrence relationships; on the negative side, it has the harmful causal effect that causes the model to make an incorrect prediction for the target object, even when only co-occurring objects are present in an image. To address this problem, we propose a counterfactual reasoning method to measure the total direct effect, achieved by enhancing the direct effect caused only by the target object. Due to the unknown location of the target object, we propose patching-based training and inference to accomplish this goal, which divides an image into multiple patches and identifies the pivot patch that contains the target object. Experimental results on multiple benchmark datasets with diverse configurations validate that the proposed method can achieve state-of-the-art performance.

Abhin Shah, Karthikeyan Shanmugam, Kartik Ahuja

Treatment effect estimation from observational data is a fundamental problem in causal inference. There are two very different schools of thought that have tackled this problem. On the one hand, the Pearlian framework commonly assumes structural knowledge (provided by an expert) in the form of directed acyclic graphs and provides graphical criteria such as the back-door criterion to identify the valid adjustment sets. On the other hand, the potential outcomes (PO) framework commonly assumes that all the observed features satisfy ignorability (i.e., no hidden confounding), which in general is untestable. In prior works that attempted to bridge these frameworks, there is an observational criteria to identify an

Pierre Ablin, Gabriel Peyré

We consider the problem of minimizing a function over the manifold of orthogonal matrices. The majority of algorithms for this problem compute a direction in the tangent space, and then use a retraction to move in that direction while staying on the manifold. Unfortunately, the numerical computation of retractions on the orthogonal manifold always involves some expensive linear algebra operation, such as matrix inversion, exponential or square-root. These operations quickly become expensive as the dimension of the matrices grows. To bypass this limitation, we propose the landing algorithm which does not use retractions. The algorithm is not constrained to stay on the manifold but its evolution is driven by a potential energy which progressively attracts it towards the manifold. One iteration of the landing algorithm only involves matrix multiplications, which makes it cheap compared to its retraction counterparts. We provide an analysis of the convergence of the algorithm, and demonstrate its promises on large-scale and deep learning problems, where it is faster and less prone to numerical errors than retraction-based methods.

Houssam Zenati, Alberto Bietti, Eustache Diemert, Julien Mairal, Matthieu Martin, Pierre Gaillard

In this paper, we tackle the computational efficiency of kernelized UCB algorithms in contextual bandits. While standard methods require a $\mathcal{O}(C{T}^3)$ complexity where $T$ is the horizon and the constant $C$ is related to optimizing the UCB rule, we propose an efficient contextual algorithm for large-scale problems. Specifically, our method relies on incremental Nyström approximations of the joint kernel embedding of contexts and actions. This allows us to achieve a complexity of $\mathcal{O}(CT{m}^2)$ where $m$ is the number of Nyström points. To recover the same regret as the standard kernelized UCB algorithm, $m$ needs to be of order of the effective dimension of the problem, which is at most $\mathcal{O}(\sqrt{T})$ and nearly constant in some cases.

Ye Tian, Gesualdo Scutari, Tianyu Cao, Alexander Gasnikov

We study distributed (strongly convex) optimization problems over a network of agents, with no centralized nodes. The loss functions of the agents are assumed to be similar, due to statistical data similarity or otherwise. In order to reduce the number of communications to reach a solution accuracy, we proposed a preconditioned, accelerated distributed method. An $\epsilon$-solution is achieved in $\tilde{\mathcal{O}}(\sqrt{\frac{\beta /\mu }{1-\rho }}\log 1/\epsilon )$ number of communications steps, where $\beta /\mu$ is the relative condition number between the global and local loss functions, and $\rho$ characterizes the connectivity of the network. This rate matches (up to poly-log factors) lower complexity communication bounds of distributed gossip-algorithms applied to the class of problems of interest. Numerical results show significant communication savings with respect to existing accelerated distributed schemes, especially when solving ill-conditioned problems.

Dong Lao, Yangchao Wu, Tian Yu Liu, Alex Wong, Stefano Soatto

Vision Transformer (ViT) architectures represent images as collections of high-dimensional vectorized tokens, each corresponding to a rectangular non-overlapping patch. This representation trades spatial granularity for embedding dimensionality, and results in semantically rich but spatially coarsely quantized feature maps. In order to retrieve spatial details beneficial to fine-grained inference tasks we propose a training-free method inspired by "stochastic resonance." Specifically, we perform sub-token spatial transformations to the input data, and aggregate the resulting ViT features after applying the inverse transformation. The resulting "Stochastic Resonance Transformer" (SRT) retains the rich semantic information of the original representation, but grounds it on a finer-scale spatial domain, partly mitigating the coarse effect of spatial tokenization. SRT is applicable across any layer of any ViT architecture, consistently boosting performance on several tasks including segmentation, classification, depth estimation, and others by up to 14.9% without the need for any fine-tuning. Code: https://github.com/donglao/srt.

Zheng Huang, Qihui Yang, Dawei Zhou, Yujun Yan

Although most graph neural networks (GNNs) can operate on graphs of any size, their classification performance often declines on graphs larger than those encountered during training. Existing methods insufficiently address the removal of size information from graph representations, resulting in sub-optimal performance and reliance on backbone models. In response, we propose DISGEN, a novel and model-agnostic framework designed to disentangle size factors from graph representations. DISGEN employs size- and task-invariant augmentations and introduces a decoupling loss that minimizes shared information in hidden representations, with theoretical guarantees for its effectiveness. Our empirical results show that DISGEN outperforms the state-of-the-art models by up to 6% on real-world datasets, underscoring its effectiveness in enhancing the size generalizability of GNNs. Our codes are available at: https://github.com/GraphmindDartmouth/DISGEN.

Alix Lheritier, Nicolas Bondoux

Distributional reinforcement learning (DRL) extends the value-based approach by approximating the full distribution over future returns instead of the mean only, providing a richer signal that leads to improved performances. Quantile Regression (QR)-based methods like QR-DQN project arbitrary distributions into a parametric subset of staircase distributions by minimizing the 1-Wasserstein distance. However, due to biases in the gradients, the quantile regression loss is used instead for training, guaranteeing the same minimizer and enjoying unbiased gradients. Non-crossing constraints on the quantiles have been shown to improve the performance of QR-DQN for uncertainty-based exploration strategies. The contribution of this work is in the setting of fixed quantile levels and is twofold. First, we prove that the Cramer distance yields a projection that coincides with the 1-Wasserstein one and that, under non-crossing constraints, the squared Cramer and the quantile regression losses yield collinear gradients, shedding light on the connection between these important elements of DRL. Second, we propose a low complexity algorithm to compute the Cramer distance.

Andrew D. Mcrae, Santhosh Karnik, Mark Davenport, Vidya K. Muthukumar

Overparametrized neural networks tend to perfectly fit noisy training data yet generalize well on test data. Inspired by this empirical observation, recent work has sought to understand this phenomenon of benign overfitting or harmless interpolation in the much simpler linear model. Previous theoretical work critically assumes that either the data features are statistically independent or the input data is high-dimensional; this precludes general nonparametric settings with structured feature maps. In this paper, we present a general and flexible framework for upper bounding regression and classification risk in a reproducing kernel Hilbert space. A key contribution is that our framework describes precise sufficient conditions on the data Gram matrix under which harmless interpolation occurs. Our results recover prior independent-features results (with a much simpler analysis), but they furthermore show that harmless interpolation can occur in more general settings such as features that are a bounded orthonormal system. Furthermore, our results show an asymptotic separation between classification and regression performance in a manner that was previously only shown for Gaussian features.

Haohui Wang, Yuzhen Mao, Yujun Yan, Yaoqing Yang, Jianhui Sun, Kevin Choi, Balaji Veeramani, Alison Hu, Edward Bowen, Tyler Cody, Dawei Zhou

Non-IID transfer learning on graphs is crucial in many high-stakes domains. The majority of existing works assume stationary distribution for both source and target domains. However, real-world graphs are intrinsically dynamic, presenting challenges in terms of domain evolution and dynamic discrepancy between source and target domains. To bridge the gap, we shift the problem to the dynamic setting and pose the question: given the *label-rich* source graphs and the *label-scarce* target graphs both observed in previous $T$ timestamps, how can we effectively characterize the evolving domain discrepancy and optimize the generalization performance of the target domain at the incoming $T+1$ timestamp? To answer it, we propose a generalization bound for *dynamic non-IID transfer learning on graphs*, which implies the generalization performance is dominated by domain evolution and domain discrepancy between source and target graphs. Inspired by the theoretical results, we introduce a novel generic framework named EvoluNet. It leverages a transformer-based temporal encoding module to model temporal information of the evolving domains and then uses a dynamic domain unification module to efficiently learn domain-invariant representations across the source and target domains. Finally, EvoluNet outperforms the state-of-the-art models by up to 12.1%, demonstrating its effectiveness in transferring knowledge from dynamic source graphs to dynamic target graphs.

Robert Müller, Aldo Pacchiano

We study meta-learning in Markov Decision Processes (MDP) with linear transition models in the undiscounted episodic setting. Under a task sharedness metric based on model proximity we study task families characterized by a distribution over models specified by a bias term and a variance component. We then propose BUC-MatrixRL, a version of the UC-Matrix RL algorithm and show it can meaningfully leverage a set of sampled training tasks to quickly solve a test task sampled from the same task distribution by learning an estimator of the bias parameter of the task distribution. The analysis leverages and extends results in the learning to learn linear regression and linear bandit setting to the more general case of MDP’s with linear transition models. We prove that compared to learning the tasks in isolation, BUC-Matrix RL provides significant improvements in the transfer regret for high bias low variance task distributions.

Da Tang, Dawen Liang, Tony Jebara, Nicholas Ruozzi

Variational Auto-Encoders (VAEs) are capable of learning latent representations for high dimensional data. However, due to the i.i.d. assumption, VAEs only optimize the singleton variational distributions and fail to account for the correlations between data points, which might be crucial for learning latent representations from dataset where a priori we know correlations exist. We propose Correlated Variational Auto-Encoders (CVAEs) that can take the correlation structure into consideration when learning latent representations with VAEs. CVAEs apply a prior based on the correlation structure. To address the intractability introduced by the correlated prior, we develop an approximation by average of a set of tractable lower bounds over all maximal acyclic subgraphs of the undirected correlation graph. Experimental results on matching and link prediction on public benchmark rating datasets and spectral clustering on a synthetic dataset show the effectiveness of the proposed method over baseline algorithms.

Yujie Wang, Mike Izbicki

Multi-class classification problems often have many semantically similar classes. For example, 90 of ImageNet’s 1000 classes are for different breeds of dog. We should expect that these semantically similar classes will have similar parameter vectors, but the standard cross entropy loss does not enforce this constraint. We introduce the tree loss as a drop-in replacement for the cross entropy loss. The tree loss re-parameterizes the parameter matrix in order to guarantee that semantically similar classes will have similar parameter vectors. Using simple properties of stochastic gradient descent, we show that the tree loss’s generalization error is asymptotically better than the cross entropy loss’s. We then validate these theoretical results on synthetic data, image data (CIFAR100, ImageNet), and text data (Twitter).

Jongha J. Ryu, Alankrita Bhatt, Young-Han Kim

A class of parameter-free online linear optimization algorithms is proposed that harnesses the structure of an adversarial sequence by adapting to some side information. These algorithms combine the reduction technique of Orabona and Pal (2016) for adapting coin betting algorithms for online linear optimization with universal compression techniques in information theory for incorporating sequential side information to coin betting. Concrete examples are studied in which the side information has a tree structure and consists of quantized values of the previous symbols of the adversarial sequence, including fixed-order and variable-order Markov cases. By modifying the context-tree weighting technique of Willems, Shtarkov, and Tjalkens (1995), the proposed algorithm is further refined to achieve the best performance over all adaptive algorithms with tree-structured side information of a given maximum order in a computationally efficient manner.

Tijana Zrnic, Emmanuel J Candes

Inspired by the concept of active learning, we propose active inference---a methodology for statistical inference with machine-learning-assisted data collection. Assuming a budget on the number of labels that can be collected, the methodology uses a machine learning model to identify which data points would be most beneficial to label, thus effectively utilizing the budget. It operates on a simple yet powerful intuition: prioritize the collection of labels for data points where the model exhibits uncertainty, and rely on the model's predictions where it is confident. Active inference constructs valid confidence intervals and hypothesis tests while leveraging any black-box machine learning model and handling any data distribution. The key point is that it achieves the same level of accuracy with far fewer samples than existing baselines relying on non-adaptively-collected data. This means that for the same number of collected samples, active inference enables smaller confidence intervals and more powerful tests. We evaluate active inference on datasets from public opinion research, census analysis, and proteomics.