Self-supervised learning (SSL) is able to build latent representations that generalize well to unseen data. However, only a few SSL techniques exist for the online CL setting, where data arrives in small minibatches, the model must comply with a fixed computational budget, and task boundaries are absent. We introduce Continual Latent Alignment (CLA), a novel SSL strategy for Online CL that aligns the representations learned by the current model with past representations to mitigate forgetting. We found that our CLA is able to speed up the convergence of the training process in the online scenario, outperforming state-of-the-art approaches under the same computational budget. Surprisingly, we also discovered that using CLA as a pretraining protocol in the early stages of pretraining leads to a better final performance when compared to a full i.i.d. pretraining.

We consider continuous relational structures with finite domain $[n] := \{1, \ldots, n\}$ and a many valued logic, $CLA$, with values in the unit interval and which uses continuous connectives and continuous aggregation functions. $CLA$ subsumes first-order logic on ``conventional'' finite structures. To each relation symbol $R$ and identity constraint $ic$ on a tuple the length of which matches the arity of $R$ we associate a continuous probability density function $μ_R^{ic} : [0, 1] \to [0, \infty)$. We also consider a probability distribution on the set $\mathbf{W}_n$ of continuous structures with domain $[n]$ which is such that for every relation symbol $R$, identity constraint $ic$, and tuple $\bar{a}$ satisfying $ic$, the distribution of the value of $R(\bar{a})$ is given by $μ_R^{ic}$, independently of the values for other relation symbols or other tuples. In this setting we prove that every formula in $CLA$ is asymptotically equivalent to a formula without any aggregation function. This is used to prove a convergence law for $CLA$ which reads as follows for formulas without free variables: If $φ\in CLA$ has no free variable and $I \subseteq [0, 1]$ is an interval, then there is $α\in [0, 1]$ such that, as $n$ tends to infinity, the probability that the value of $φ$ is in $I$ tends to $α$.

Due to their excellent drug-like and pharmacokinetic properties, small molecule drugs are widely used to treat various diseases, making them a critical component of drug discovery. In recent years, with the rapid development of deep learning (DL) techniques, DL-based small molecule drug discovery methods have achieved excellent performance in prediction accuracy, speed, and complex molecular relationship modeling compared to traditional machine learning approaches. These advancements enhance drug screening efficiency and optimization, and they provide more precise and effective solutions for various drug discovery tasks. Contributing to this field's development, this paper aims to systematically summarize and generalize the recent key tasks and representative techniques in DL-based small molecule drug discovery in recent years. Specifically, we provide an overview of the major tasks in small molecule drug discovery and their interrelationships. Next, we analyze the six core tasks, summarizing the related methods, commonly used datasets, and technological development trends. Finally, we discuss key challenges, such as interpretability and out-of-distribution generalization, and offer our insights into future research directions for DL-assisted small molecule drug discovery.

Zero-shot event-relational reasoning is an important task in natural language processing, and existing methods jointly learn a variety of event-relational prefixes and inference-form prefixes to achieve such tasks. However, training prefixes consumes large computational resources and lacks interpretability. Additionally, learning various relational and inferential knowledge inefficiently exploits the connections between tasks. Therefore, we first propose a method for Reasoning-Oriented Locating and Editing (ROLE), which locates and edits the key modules of the language model for reasoning about event relations, enhancing interpretability and also resource-efficiently optimizing the reasoning ability. Subsequently, we propose a method for Analogy-Based Locating and Editing (ABLE), which efficiently exploits the similarities and differences between tasks to optimize the zero-shot reasoning capability. Experimental results show that ROLE improves interpretability and reasoning performance with reduced computational cost. ABLE achieves SOTA results in zero-shot reasoning.

Multi-robot manipulation tasks involve various control entities that can be separated into dynamically independent parts. A typical example of such real-world tasks is dual-arm manipulation. Learning to naively solve such tasks with reinforcement learning is often unfeasible due to the sample complexity and exploration requirements growing with the dimensionality of the action and state spaces. Instead, we would like to handle such environments as multi-agent systems and have several agents control parts of the whole. However, decentralizing the generation of actions requires coordination across agents through a channel limited to information central to the task. This paper proposes an approach to coordinating multi-robot manipulation through learned latent action spaces that are shared across different agents. We validate our method in simulated multi-robot manipulation tasks and demonstrate improvement over previous baselines in terms of sample efficiency and learning performance.

Keeping track of and managing Self-Admitted Technical Debts (SATDs) is important for maintaining a healthy software project. Current active-learning SATD recognition tool involves manual inspection of 24% of the test comments on average to reach 90% of the recall. Among all the test comments, about 5% are SATDs. The human experts are then required to read almost a quintuple of the SATD comments which indicates the inefficiency of the tool. Plus, human experts are still prone to error: 95% of the false-positive labels from previous work were actually true positives. To solve the above problems, we propose DebtFree, a two-mode framework based on unsupervised learning for identifying SATDs. In mode1, when the existing training data is unlabeled, DebtFree starts with an unsupervised learner to automatically pseudo-label the programming comments in the training data. In contrast, in mode2 where labels are available with the corresponding training data, DebtFree starts with a pre-processor that identifies the highly prone SATDs from the test dataset. Then, our machine learning model is employed to assist human experts in manually identifying the remaining SATDs. Our experiments on 10 software projects show that both models yield a statistically significant improvement in effectiveness over the state-of-the-art automated and semi-automated models. Specifically, DebtFree can reduce the labeling effort by 99% in mode1 (unlabeled training data), and up to 63% in mode2 (labeled training data) while improving the current active learner's F1 relatively to almost 100%.

LSTMs promise much to financial time-series analysis, temporal and cross-sectional inference, but we find they do not deliver in a real-world financial management task. We examine an alternative called Continual Learning (CL), a memory-augmented approach, which can provide transparent explanations; which memory did what and when. This work has implications for many financial applications including to credit, time-varying fairness in decision making and more. We make three important new observations. Firstly, as well as being more explainable, time-series CL approaches outperform LSTM and a simple sliding window learner (feed-forward neural net (FFNN)). Secondly, we show that CL based on a sliding window learner (FFNN) is more effective than CL based on a sequential learner (LSTM). Thirdly, we examine how real-world, time-series noise impacts several similarity approaches used in CL memory addressing. We provide these insights using an approach called Continual Learning Augmentation (CLA) tested on a complex real world problem; emerging market equities investment decision making. CLA provides a test-bed as it can be based on different types of time-series learner, allowing testing of LSTM and sliding window (FFNN) learners side by side. CLA is also used to test several distance approaches used in a memory recall-gate: euclidean distance (ED), dynamic time warping (DTW), auto-encoder (AE) and a novel hybrid approach, warp-AE. We find CLA out-performs simple LSTM and FFNN learners and CLA based on a sliding window (CLA-FFNN) out-performs a LSTM (CLA-LSTM) implementation. While for memory-addressing, ED under-performs DTW and AE but warp-AE shows the best overall performance in a real-world financial task.

Investment decisions can benefit from incorporating an accumulated knowledge of the past to drive future decision making. We introduce Continual Learning Augmentation (CLA) which is based on an explicit memory structure and a feed forward neural network (FFNN) base model and used to drive long term financial investment decisions. We demonstrate that our approach improves accuracy in investment decision making while memory is addressed in an explainable way. Our approach introduces novel remember cues, consisting of empirically learned change points in the absolute error series of the FFNN. Memory recall is also novel, with contextual similarity assessed over time by sampling distances using dynamic time warping (DTW). We demonstrate the benefits of our approach by using it in an expected return forecasting task to drive investment decisions. In an investment simulation in a broad international equity universe between 2003-2017, our approach significantly outperforms FFNN base models. We also illustrate how CLA's memory addressing works in practice, using a worked example to demonstrate the explainability of our approach.

In automatic speech recognition (ASR) what a user says depends on the particular context she is in. Typically, this context is represented as a set of word n-grams. In this work, we present a novel, all-neural, end-to-end (E2E) ASR sys- tem that utilizes such context. Our approach, which we re- fer to as Contextual Listen, Attend and Spell (CLAS) jointly- optimizes the ASR components along with embeddings of the context n-grams. During inference, the CLAS system can be presented with context phrases which might contain out-of- vocabulary (OOV) terms not seen during training. We com- pare our proposed system to a more traditional contextualiza- tion approach, which performs shallow-fusion between inde- pendently trained LAS and contextual n-gram models during beam search. Across a number of tasks, we find that the pro- posed CLAS system outperforms the baseline method by as much as 68% relative WER, indicating the advantage of joint optimization over individually trained components. Index Terms: speech recognition, sequence-to-sequence models, listen attend and spell, LAS, attention, embedded speech recognition.

The classical approach to the acquisition of knowledge and reason in artificial intelligence is to program the facts and rules into the machine. Unfortunately, the amount of time required to program the equivalent of human intelligence is prohibitively large. An alternative approach allows an automaton to learn to solve problems through iterative trial-and-error interaction with its environment, much as humans do. To solve a problem posed by the environment, the automaton generates a sequence or collection of responses based on its experience. The environment evaluates the effectiveness of this collection, and reports its evaluation to the automaton.