Long-term time series forecasting (LTSF) provides longer insights into future trends and patterns. Over the past few years, deep learning models especially Transformers have achieved advanced performance in LTSF tasks. However, LTSF faces inherent challenges such as long-term dependencies capturing and sparse semantic characteristics. Recently, a new state space model (SSM) named Mamba is proposed. With the selective capability on input data and the hardware-aware parallel computing algorithm, Mamba has shown great potential in balancing predicting performance and computational efficiency compared to Transformers. To enhance Mamba's ability to preserve historical information in a longer range, we design a novel Mamba+ block by adding a forget gate inside Mamba to selectively combine the new features with the historical features in a complementary manner. Furthermore, we apply Mamba+ both forward and backward and propose Bi-Mamba+, aiming to promote the model's ability to capture interactions among time series elements. Additionally, multivariate time series data in different scenarios may exhibit varying emphasis on intra- or inter-series dependencies. Therefore, we propose a series-relation-aware decider that controls the utilization of channel-independent or channel-mixing tokenization strategy for specific datasets. Extensive experiments on 8 real-world datasets show that our model achieves more accurate predictions compared with state-of-the-art methods.

The field of temporal graph learning aims to learn from evolving network data to forecast future interactions. Given a collection of observed temporal graphs, is it possible to predict the evolution of an unseen network from the same domain? To answer this question, we first present the Temporal Graph Scaling (TGS) dataset, a large collection of temporal graphs consisting of eighty-four ERC20 token transaction networks collected from 2017 to 2023. Next, we evaluate the transferability of Temporal Graph Neural Networks (TGNNs) for the temporal graph property prediction task by pre-training on a collection of up to sixty-four token transaction networks and then evaluating the downstream performance on twenty unseen token networks. We find that the neural scaling law observed in NLP and Computer Vision also applies in temporal graph learning, where pre-training on greater number of networks leads to improved downstream performance. To the best of our knowledge, this is the first empirical demonstration of the transferability of temporal graphs learning. On downstream token networks, the largest pre-trained model outperforms single model TGNNs on thirteen unseen test networks. Therefore, we believe that this is a promising first step towards building foundation models for temporal graphs.

Recovering reward function from expert demonstrations is a fundamental problem in reinforcement learning. The recovered reward function captures the motivation of the expert. Agents can imitate experts by following these reward functions in their environment, which is known as apprentice learning. However, the agents may face environments different from the demonstrations, and therefore, desire transferable reward functions. Classical reward learning methods such as inverse reinforcement learning (IRL) or, equivalently, adversarial imitation learning (AIL), recover reward functions coupled with training dynamics, which are hard to be transferable. Previous dynamics-agnostic reward learning methods rely on assumptions such as that the reward function has to be state-only, restricting their applicability. In this work, we present a dynamics-agnostic discriminator-ensemble reward learning method (DARL) within the AIL framework, capable of learning both state-action and state-only reward functions. DARL achieves this by decoupling the reward function from training dynamics, employing a dynamics-agnostic discriminator on a latent space derived from the original state-action space. This latent space is optimized to minimize information on the dynamics. We moreover discover the policy-dependency issue of the AIL framework that reduces the transferability. DARL represents the reward function as an ensemble of discriminators during training to eliminate policy dependencies. Empirical studies on MuJoCo tasks with changed dynamics show that DARL better recovers the reward function and results in better imitation performance in transferred environments, handling both state-only and state-action reward scenarios.

AI model alignment is crucial due to inadvertent biases in training data and the underspecified pipeline in modern machine learning, where numerous models with excellent test set metrics can be produced, yet they may not meet end-user requirements. Recent advances demonstrate that post-training model alignment via human feedback can address some of these challenges. However, these methods are often confined to settings (such as generative AI) where humans can interpret model outputs and provide feedback. In traditional non-generative settings, where model outputs are numerical values or classes, detecting misalignment through single-sample outputs is highly challenging. In this paper we consider an alternative strategy. We propose interpreting model alignment through property testing, defining an aligned model $f$ as one belonging to a subset $\mathcal{P}$ of functions that exhibit specific desired behaviors. We focus on post-processing a pre-trained model $f$ to better align with $\mathcal{P}$ using conformal risk control. Specifically, we develop a general procedure for converting queries for a given property $\mathcal{P}$ to a collection of loss functions suitable for use in a conformal risk control algorithm. We prove a probabilistic guarantee that the resulting conformal interval around $f$ contains a function approximately satisfying $\mathcal{P}$. Given the capabilities of modern AI models with extensive parameters and training data, one might assume alignment issues will resolve naturally. However, increasing training data or parameters in a random feature model doesn't eliminate the need for alignment techniques when pre-training data is biased. We demonstrate our alignment methodology on supervised learning datasets for properties like monotonicity and concavity. Our flexible procedure can be applied to various desired properties.

There remain numerous unanswered research questions on deep learning (DL) within the classical learning theory framework. These include the remarkable generalization capabilities of overparametrized neural networks (NNs), the efficient optimization performance despite non-convexity of objectives, the mechanism of flat minima for generalization, and the exceptional performance of deep architectures in solving physical problems. This paper introduces General Distribution Learning (GD Learning), a novel theoretical learning framework designed to address a comprehensive range of machine learning and statistical tasks, including classification, regression and parameter estimation. Departing from traditional statistical machine learning, GD Learning focuses on the true underlying distribution. In GD Learning, learning error, corresponding to the expected error in classical statistical learning framework, is divided into fitting errors due to models and algorithms, as well as sampling errors introduced by limited sampling data. The framework significantly incorporates prior knowledge, especially in scenarios characterized by data scarcity, thereby enhancing performance. Within the GD Learning framework, we demonstrate that the global optimal solutions in non-convex optimization can be approached by minimizing the gradient norm and the non-uniformity of the eigenvalues of the model's Jacobian matrix. This insight leads to the development of the gradient structure control algorithm. GD Learning also offers fresh insights into the questions on deep learning, including overparameterization and non-convex optimization, bias-variance trade-off, and the mechanism of flat minima.

Clinical trials are fundamental in developing new drugs, medical devices, and treatments. However, they are often time-consuming and have low success rates. Although there have been initial attempts to create large language models (LLMs) for clinical trial design and patient-trial matching, these models remain task-specific and not adaptable to diverse clinical trial tasks. To address this challenge, we propose a clinical trial foundation model named Panacea, designed to handle multiple tasks, including trial search, trial summarization, trial design, and patient-trial matching. We also assemble a large-scale dataset, named TrialAlign, of 793,279 trial documents and 1,113,207 trial-related scientific papers, to infuse clinical knowledge into the model by pre-training. We further curate TrialInstruct, which has 200,866 of instruction data for fine-tuning. These resources enable Panacea to be widely applicable for a range of clinical trial tasks based on user requirements. We evaluated Panacea on a new benchmark, named TrialPanorama, which covers eight clinical trial tasks. Our method performed the best on seven of the eight tasks compared to six cutting-edge generic or medicine-specific LLMs. Specifically, Panacea showed great potential to collaborate with human experts in crafting the design of eligibility criteria, study arms, and outcome measures, in multi-round conversations. In addition, Panacea achieved 14.42% improvement in patient-trial matching, 41.78% to 52.02% improvement in trial search, and consistently ranked at the top for five aspects of trial summarization. Our approach demonstrates the effectiveness of Panacea in clinical trials and establishes a comprehensive resource, including training data, model, and benchmark, for developing clinical trial foundation models, paving the path for AI-based clinical trial development.

In settings where only a budgeted amount of labeled data can be afforded, active learning seeks to devise query strategies for selecting the most informative data points to be labeled, aiming to enhance learning algorithms' efficiency and performance. Numerous such query strategies have been proposed and compared in the active learning literature. However, the community still lacks standardized benchmarks for comparing the performance of different query strategies. This particularly holds for the combination of query strategies with different learning algorithms into active learning pipelines and examining the impact of the learning algorithm choice. To close this gap, we propose ALPBench, which facilitates the specification, execution, and performance monitoring of active learning pipelines. It has built-in measures to ensure evaluations are done reproducibly, saving exact dataset splits and hyperparameter settings of used algorithms. In total, ALPBench consists of 86 real-world tabular classification datasets and 5 active learning settings, yielding 430 active learning problems. To demonstrate its usefulness and broad compatibility with various learning algorithms and query strategies, we conduct an exemplary study evaluating 9 query strategies paired with 8 learning algorithms in 2 different settings.

Low-resource languages, by its very definition, tend to be under represented in the pre-training corpora of Large Language Models. In this work, we investigate three low-resource cross-lingual approaches that enable an LLM adapt to tasks in previously unseen languages. Llama-2 is an LLM where Indic languages, among many other language families, contribute to less than $0.005\%$ of the total $2$ trillion token pre-training corpora. In this work, we experiment with the English-dominated Llama-2 for cross-lingual transfer to three Indic languages, Bengali, Hindi, and Tamil as target languages. We study three approaches for cross-lingual transfer, under ICL and fine-tuning. One, we find that adding additional supervisory signals via a dominant language in the LLM, leads to improvements, both under in-context learning and fine-tuning. Two, adapting the target languages to word reordering may be beneficial under ICL, but its impact diminishes with fine tuning. Finally, continued pre-training in one low-resource language can improve model performance for other related low-resource languages.

Large language models (LLMs) have shown significant achievements in solving a wide range of tasks. Recently, LLMs' capability to store, retrieve and infer with symbolic knowledge has drawn a great deal of attention, showing their potential to understand structured information. However, it is not yet known whether LLMs can understand Description Logic (DL) ontologies. In this work, we empirically analyze the LLMs' capability of understanding DL-Lite ontologies covering 6 representative tasks from syntactic and semantic aspects. With extensive experiments, we demonstrate both the effectiveness and limitations of LLMs in understanding DL-Lite ontologies. We find that LLMs can understand formal syntax and model-theoretic semantics of concepts and roles. However, LLMs struggle with understanding TBox NI transitivity and handling ontologies with large ABoxes. We hope that our experiments and analyses provide more insights into LLMs and inspire to build more faithful knowledge engineering solutions.

To better interpret the intrinsic mechanism of large language models (LLMs), recent studies focus on monosemanticity on its basic units. A monosemantic neuron is dedicated to a single and specific concept, which forms a one-to-one correlation between neurons and concepts. Despite extensive research in monosemanticity probing, it remains unclear whether monosemanticity is beneficial or harmful to model capacity. To explore this question, we revisit monosemanticity from the feature decorrelation perspective and advocate for its encouragement. We experimentally observe that the current conclusion by wang2024learning, which suggests that decreasing monosemanticity enhances model performance, does not hold when the model changes. Instead, we demonstrate that monosemanticity consistently exhibits a positive correlation with model capacity, in the preference alignment process. Consequently, we apply feature correlation as a proxy for monosemanticity and incorporate a feature decorrelation regularizer into the dynamic preference optimization process. The experiments show that our method not only enhances representation diversity and activation sparsity but also improves preference alignment performance.