OpenRaiser/Intern-Atlas huggingface dataset:
Overview frequency principle/spectral bias in deep learning
Venue: arXiv cs.LG 2024
Year: 2024

Understanding deep learning is increasingly emergent as it penetrates more and more into industry and science. In recent years, a research line from Fourier analysis sheds lights on this magical "black box" by showing a Frequency Principle (F-Principle or spectral bias) of the training behavior of deep neural networks (DNNs) -- DNNs often fit functions from low to high frequency during the training. The F-Principle is first demonstrated by onedimensional synthetic data followed by the verification in high-dimensional real datasets. A series of works subsequently enhance the validity of the F-Principle. This low-frequency implicit bias reveals the strength of neural network in learning low-frequency functions as well as its deficiency in learning high-frequency functions. Such understanding inspires the design of DNN-based algorithms in practical problems, explains experimental phenomena emerging in various scenarios, and further advances the study of deep learning from the frequency perspective. Although incomplete, we provide an overview of F-Principle and propose some open problems for future research.
Deep Reinforcement Learning with Spiking Q-learning
Venue: arXiv cs.NE 2024
Year: 2024

With the help of special neuromorphic hardware, spiking neural networks (SNNs) are expected to realize artificial intelligence (AI) with less energy consumption. It provides a promising energy-efficient way for realistic control tasks by combining SNNs with deep reinforcement learning (RL). There are only a few existing SNN-based RL methods at present. Most of them either lack generalization ability or employ Artificial Neural Networks (ANNs) to estimate value function in training. The former needs to tune numerous hyper-parameters for each scenario, and the latter limits the application of different types of RL algorithm and ignores the large energy consumption in training. To develop a robust spike-based RL method, we draw inspiration from non-spiking interneurons found in insects and propose the deep spiking Q-network (DSQN), using the membrane voltage of non-spiking neurons as the representation of Q-value, which can directly learn robust policies from high-dimensional sensory inputs using end-to-end RL. Experiments conducted on 17 Atari games demonstrate the DSQN is effective and even outperforms the ANN-based deep Q-network (DQN) in most games. Moreover, the experiments show superior learning stability and robustness to adversarial attacks of DSQN.
FIGARO: Generating Symbolic Music with Fine-Grained Artistic Control
Venue: arXiv cs.SD 2024
Year: 2024

Generating music with deep neural networks has been an area of active research in recent years. While the quality of generated samples has been steadily increasing, most methods are only able to exert minimal control over the generated sequence, if any. We propose the self-supervised description-to-sequence task, which allows for fine-grained controllable generation on a global level. We do so by extracting high-level features about the target sequence and learning the conditional distribution of sequences given the corresponding high-level description in a sequence-to-sequence modelling setup. We train FIGARO (FIne-grained music Generation via Attention-based, RObust control) by applying description-to-sequence modelling to symbolic music. By combining learned high level features with domain knowledge, which acts as a strong inductive bias, the model achieves state-of-the-art results in controllable symbolic music generation and generalizes well beyond the training distribution.
A linear linear lambda-calculus
Venue: arXiv cs.LO 2024
Year: 2024

We present a linearity theorem for a proof language of intuitionistic multiplicative additive linear logic, incorporating addition and scalar multiplication. The proofs in this language are linear in the algebraic sense. This work is part of a broader research program aiming to define a logic with a proof language that forms a quantum programming language.
Pseudo-Differential Neural Operator: Generalized Fourier Neural Operator for Learning Solution Operators of Partial Differential Equations
Venue: arXiv cs.LG 2024
Year: 2024

Learning the mapping between two function spaces has garnered considerable research attention. However, learning the solution operator of partial differential equations (PDEs) remains a challenge in scientific computing. Fourier neural operator (FNO) was recently proposed to learn solution operators, and it achieved an excellent performance. In this study, we propose a novel \textit{pseudo-differential integral operator} (PDIO) to analyze and generalize the Fourier integral operator in FNO. PDIO is inspired by a pseudo-differential operator, which is a generalized differential operator characterized by a certain symbol. We parameterize this symbol using a neural network and demonstrate that the neural network-based symbol is contained in a smooth symbol class. Subsequently, we verify that the PDIO is a bounded linear operator, and thus is continuous in the Sobolev space. We combine the PDIO with the neural operator to develop a \textit{pseudo-differential neural operator} (PDNO) and learn the nonlinear solution operator of PDEs. We experimentally validate the effectiveness of the proposed model by utilizing Darcy flow and the Navier-Stokes equation. The obtained results indicate that the proposed PDNO outperforms the existing neural operator approaches in most experiments.
Generic families of finite metric spaces with identical or trivial 1-dimensional persistence
Venue: arXiv cs.CG 2024
Year: 2024

Persistent homology is a popular and useful tool for analysing finite metric spaces, revealing features that can be used to distinguish sets of unlabeled points and as input into machine learning pipelines. The famous stability theorem of persistent homology provides an upper bound for the change of persistence in the bottleneck distance under perturbations of points, but without giving a lower bound. This paper clarifies the possible limitations persistent homology may have in distinguishing finite metric spaces, which is evident for non-isometric point sets with identical persistence. We describe generic families of point sets in metric spaces that have identical or even trivial one-dimensional persistence. The results motivate stronger invariants to distinguish finite point sets up to isometry.
PiP-X: Online feedback motion planning/replanning in dynamic environments using invariant funnels
Venue: arXiv cs.RO 2024
Year: 2024

Computing kinodynamically feasible motion plans and repairing them on-the-fly as the environment changes is a challenging, yet relevant problem in robot-navigation. We propose a novel online single-query sampling-based motion re-planning algorithm - PiP-X, using finite-time invariant sets - funnels. We combine concepts from sampling-based methods, nonlinear systems analysis and control theory to create a single framework that enables feedback motion re-planning for any general nonlinear dynamical system in dynamic workspaces. A volumetric funnel-graph is constructed using sampling-based methods, and an optimal funnel-path from robot configuration to a desired goal region is then determined by computing the shortest-path subtree in it. Analysing and formally quantifying the stability of trajectories using Lyapunov level-set theory ensures kinodynamic feasibility and guaranteed set-invariance of the solution-paths. The use of incremental search techniques and a pre-computed library of motion-primitives ensure that our method can be used for quick online rewiring of controllable motion plans in densely cluttered and dynamic environments. We represent traversability and sequencibility of trajectories together in the form of an augmented directed-graph, helping us leverage discrete graph-based replanning algorithms to efficiently recompute feasible and controllable motion plans that are volumetric in nature. We validate our approach on a simulated 6DOF quadrotor platform in a variety of scenarios within a maze and random forest environment. From repeated experiments, we analyse the performance in terms of algorithm-success and length of traversed-trajectory.
Normalise for Fairness: A Simple Normalisation Technique for Fairness in Regression Machine Learning Problems
Venue: arXiv cs.LG 2024
Year: 2024

Algorithms and Machine Learning (ML) are increasingly affecting everyday life and several decision-making processes, where ML has an advantage due to scalability or superior performance. Fairness in such applications is crucial, where models should not discriminate their results based on race, gender, or other protected groups. This is especially crucial for models affecting very sensitive topics, like interview invitation or recidivism prediction. Fairness is not commonly studied for regression problems compared to binary classification problems; hence, we present a simple, yet effective method based on normalisation (FaiReg), which minimises the impact of unfairness in regression problems, especially due to labelling bias. We present a theoretical analysis of the method, in addition to an empirical comparison against two standard methods for fairness, namely data balancing and adversarial training. We also include a hybrid formulation (FaiRegH), merging the presented method with data balancing, in an attempt to face labelling and sampling biases simultaneously. The experiments are conducted on the multimodal dataset First Impressions (FI) with various labels, namely Big-Five personality prediction and interview screening score. The results show the superior performance of diminishing the effects of unfairness better than data balancing, also without deteriorating the performance of the original problem as much as adversarial training. Fairness is evaluated based on the Equal Accuracy (EA) and Statistical Parity (SP) constraints. The experiments present a setup that enhances the fairness for several protected variables simultaneously.
Scaling up Multi-domain Semantic Segmentation with Sentence Embeddings
Venue: arXiv cs.CV 2024
Year: 2024

We propose an approach to semantic segmentation that achieves state-of-the-art supervised performance when applied in a zero-shot setting. It thus achieves results equivalent to those of the supervised methods, on each of the major semantic segmentation datasets, without training on those datasets. This is achieved by replacing each class label with a vector-valued embedding of a short paragraph that describes the class. The generality and simplicity of this approach enables merging multiple datasets from different domains, each with varying class labels and semantics. The resulting merged semantic segmentation dataset of over 2 Million images enables training a model that achieves performance equal to that of state-of-the-art supervised methods on 7 benchmark datasets, despite not using any images therefrom. By fine-tuning the model on standard semantic segmentation datasets, we also achieve a significant improvement over the state-of-the-art supervised segmentation on NYUD-V2 and PASCAL-context at 60% and 65% mIoU, respectively. Based on the closeness of language embeddings, our method can even segment unseen labels. Extensive experiments demonstrate strong generalization to unseen image domains and unseen labels, and that the method enables impressive performance improvements in downstream applications, including depth estimation and instance segmentation.
Handling Distribution Shifts on Graphs: An Invariance Perspective
Venue: arXiv cs.LG 2024
Year: 2024

There is increasing evidence suggesting neural networks' sensitivity to distribution shifts, so that research on out-of-distribution (OOD) generalization comes into the spotlight. Nonetheless, current endeavors mostly focus on Euclidean data, and its formulation for graph-structured data is not clear and remains under-explored, given two-fold fundamental challenges: 1) the inter-connection among nodes in one graph, which induces non-IID generation of data points even under the same environment, and 2) the structural information in the input graph, which is also informative for prediction. In this paper, we formulate the OOD problem on graphs and develop a new invariant learning approach, Explore-to-Extrapolate Risk Minimization (EERM), that facilitates graph neural networks to leverage invariance principles for prediction. EERM resorts to multiple context explorers (specified as graph structure editers in our case) that are adversarially trained to maximize the variance of risks from multiple virtual environments. Such a design enables the model to extrapolate from a single observed environment which is the common case for node-level prediction. We prove the validity of our method by theoretically showing its guarantee of a valid OOD solution and further demonstrate its power on various real-world datasets for handling distribution shifts from artificial spurious features, cross-domain transfers and dynamic graph evolution.
CECILIA: Comprehensive Secure Machine Learning Framework
Venue: arXiv cs.LG 2024
Year: 2024

Since ML algorithms have proven their success in many different applications, there is also a big interest in privacy preserving (PP) ML methods for building models on sensitive data. Moreover, the increase in the number of data sources and the high computational power required by those algorithms force individuals to outsource the training and/or the inference of a ML model to the clouds providing such services. To address this, we propose a secure 3-party computation framework, CECILIA, offering PP building blocks to enable complex operations privately. In addition to the adapted and common operations like addition and multiplication, it offers multiplexer, most significant bit and modulus conversion. The first two are novel in terms of methodology and the last one is novel in terms of both functionality and methodology. CECILIA also has two complex novel methods, which are the exact exponential of a public base raised to the power of a secret value and the inverse square root of a secret Gram matrix. We use CECILIA to realize the private inference on pre-trained RKNs, which require more complex operations than most other DNNs, on the structural classification of proteins as the first study ever accomplishing the PP inference on RKNs. In addition to the successful private computation of basic building blocks, the results demonstrate that we perform the exact and fully private exponential computation, which is done by approximation in the literature so far. Moreover, they also show that we compute the exact inverse square root of a secret Gram matrix up to a certain privacy level, which has not been addressed in the literature at all. We also analyze the scalability of CECILIA to various settings on a synthetic dataset. The framework shows a great promise to make other ML algorithms as well as further computations privately computable by the building blocks of the framework.
Reward is not enough: can we liberate AI from the reinforcement learning paradigm?
Venue: arXiv cs.AI 2024
Year: 2024

I present arguments against the hypothesis put forward by Silver, Singh, Precup, and Sutton ( https://www.sciencedirect.com/science/article/pii/S0004370221000862 ) : reward maximization is not enough to explain many activities associated with natural and artificial intelligence including knowledge, learning, perception, social intelligence, evolution, language, generalisation and imitation. I show such reductio ad lucrum has its intellectual origins in the political economy of Homo economicus and substantially overlaps with the radical version of behaviourism. I show why the reinforcement learning paradigm, despite its demonstrable usefulness in some practical application, is an incomplete framework for intelligence -- natural and artificial. Complexities of intelligent behaviour are not simply second-order complications on top of reward maximisation. This fact has profound implications for the development of practically usable, smart, safe and robust artificially intelligent agents.
More is Better (Mostly): On the Backdoor Attacks in Federated Graph Neural Networks
Venue: arXiv cs.CR 2024
Year: 2024

Graph Neural Networks (GNNs) are a class of deep learning-based methods for processing graph domain information. GNNs have recently become a widely used graph analysis method due to their superior ability to learn representations for complex graph data. However, due to privacy concerns and regulation restrictions, centralized GNNs can be difficult to apply to data-sensitive scenarios. Federated learning (FL) is an emerging technology developed for privacy-preserving settings when several parties need to train a shared global model collaboratively. Although several research works have applied FL to train GNNs (Federated GNNs), there is no research on their robustness to backdoor attacks. This paper bridges this gap by conducting two types of backdoor attacks in Federated GNNs: centralized backdoor attacks (CBA) and distributed backdoor attacks (DBA). Our experiments show that the DBA attack success rate is higher than CBA in almost all evaluated cases. For CBA, the attack success rate of all local triggers is similar to the global trigger even if the training set of the adversarial party is embedded with the global trigger. To further explore the properties of two backdoor attacks in Federated GNNs, we evaluate the attack performance for a different number of clients, trigger sizes, poisoning intensities, and trigger densities. Moreover, we explore the robustness of DBA and CBA against one defense. We find that both attacks are robust against the investigated defense, necessitating the need to consider backdoor attacks in Federated GNNs as a novel threat that requires custom defenses.
Random Alloy Codes and the Fundamental Limits of Coded Distributed Tensors
Venue: arXiv cs.IT 2024
Year: 2024

Tensors are a fundamental operation in distributed computing, \emph{e.g.,} machine learning, that are commonly distributed into multiple parallel tasks for large datasets. Stragglers and other failures can severely impact the overall completion time. Recent works in coded computing provide a novel strategy to mitigate stragglers with coded tasks, with an objective of minimizing the number of tasks needed to recover the overall result, known as the recovery threshold. However, we demonstrate that this strict combinatorial definition does not directly optimize the probability of failure. In this paper, we focus on the most likely event and measure the optimality of a coding scheme more directly by its probability of decoding. Our probabilistic approach leads us to a practical construction of random codes for matrix multiplication, i.e., locally random alloy codes, which are optimal with respect to the measures. Furthermore, the probabilistic approach allows us to discover a surprising impossibility theorem about both random and deterministic coded distributed tensors.
Graph Neural Networks for Graphs with Heterophily: A Survey
Venue: arXiv cs.LG 2024
Year: 2024

Recent years have witnessed fast developments of graph neural networks (GNNs) that have benefited myriads of graph analytic tasks and applications. In general, most GNNs depend on the homophily assumption that nodes belonging to the same class are more likely to be connected. However, as a ubiquitous graph property in numerous real-world scenarios, heterophily, i.e., nodes with different labels tend to be linked, significantly limits the performance of tailor-made homophilic GNNs. Hence, GNNs for heterophilic graphs are gaining increasing research attention to enhance graph learning with heterophily. In this paper, we provide a comprehensive review of GNNs for heterophilic graphs. Specifically, we propose a systematic taxonomy that essentially governs existing heterophilic GNN models, along with a general summary and detailed analysis. Furthermore, we discuss the correlation between graph heterophily and various graph research domains, aiming to facilitate the development of more effective GNNs across a spectrum of practical applications and learning tasks in the graph research community. In the end, we point out the potential directions to advance and stimulate more future research and applications on heterophilic graph learning with GNNs.
Bayesian Optimisation for Active Monitoring of Air Pollution
Venue: arXiv cs.LG 2024
Year: 2024

Air pollution is one of the leading causes of mortality globally, resulting in millions of deaths each year. Efficient monitoring is important to measure exposure and enforce legal limits. New low-cost sensors can be deployed in greater numbers and in more varied locations, motivating the problem of efficient automated placement. Previous work suggests Bayesian optimisation is an appropriate method, but only considered a satellite data set, with data aggregated over all altitudes. It is ground-level pollution, that humans breathe, which matters most. We improve on those results using hierarchical models and evaluate our models on urban pollution data in London to show that Bayesian optimisation can be successfully applied to the problem.
Molecule Generation for Drug Design: a Graph Learning Perspective
Venue: arXiv cs.LG 2024
Year: 2024

Machine learning, particularly graph learning, is gaining increasing recognition for its transformative impact across various fields. One such promising application is in the realm of molecule design and discovery, notably within the pharmaceutical industry. Our survey offers a comprehensive overview of state-of-the-art methods in molecule design, particularly focusing on \emph{de novo} drug design, which incorporates (deep) graph learning techniques. We categorize these methods into three distinct groups: \emph{i)} \emph{all-at-once}, \emph{ii)} \emph{fragment-based}, and \emph{iii)} \emph{node-by-node}. Additionally, we introduce some key public datasets and outline the commonly used evaluation metrics for both the generation and optimization of molecules. In the end, we discuss the existing challenges in this field and suggest potential directions for future research.
Deterministic Patterns for Multiple Access with Latency and Reliability Guarantees
Venue: arXiv cs.IT 2024
Year: 2024

We study a scenario in which multiple uncoordinated devices aim to achieve reliable transmissions within a given time frame. The devices are intermittently active and access a shared pool of channel resources in a grant-free manner by utilizing multiple transmissions (K-repetition coding). This allows them to achieve diversity and improve the reliability within a certain latency constraint. We focus on two access methods: one where devices choose K slots at random and another one where the access patterns are deterministic and follow a specific code design, namely the Steiner System. We analyze the problem under two signal models that involve different complexity for the receiver. First, collision model is considered, where only interference-free transmissions can be used and combined. Second, a model treating interference as noise is analyzed, where the receiver is capable of utilizing all K replicas, applying maximum ratio combining (MRC). For both signal models, we investigate receivers with and without successive interference cancellation (SIC). We develop approximations and bounds for the outage probabilities that very closely match simulation results. Overall, we show that deterministic access patterns have the potential to significantly outperform random selection in terms of reliability. Furthermore, deterministic access patterns offer a simplified system design.