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 Deep Learning


Fourier Amplitude and Correlation Loss: Beyond Using L2 Loss for Skillful Precipitation Nowcasting

Neural Information Processing Systems

Deep learning approaches have been widely adopted for precipitation nowcasting in recent years. Previous studies mainly focus on proposing new model architectures to improve pixel-wise metrics. However, they frequently result in blurry predictions which provide limited utility to forecasting operations. In this work, we propose a new Fourier Amplitude and Correlation Loss (FACL) which consists of two novel loss terms: Fourier Amplitude Loss (FAL) and Fourier Correlation Loss (FCL). FAL regularizes the Fourier amplitude of the model prediction and FCL complements the missing phase information. The two loss terms work together to replace the traditional L2 losses such as MSE and weighted MSE for the spatiotemporal prediction problem on signal-based data. Our method is generic, parameter-free and efficient. Extensive experiments using one synthetic dataset and three radar echo datasets demonstrate that our method improves perceptual metrics and meteorology skill scores, with a small trade-off to pixel-wise accuracy and structural similarity. Moreover, to improve the error margin in meteorological skill scores such as Critical Success Index (CSI) and Fractions Skill Score (FSS), we propose and adopt the Regional Histogram Divergence (RHD), a distance metric that considers the patch-wise similarity between signal-based imagery patterns with tolerance to local transforms.


Proximity-Informed Calibration for Deep Neural Networks

Neural Information Processing Systems

Confidence calibration is central to providing accurate and interpretable uncertainty estimates, especially under safety-critical scenarios. However, we find that existing calibration algorithms often overlook the issue of proximity bias, a phenomenon where models tend to be more overconfident in low proximity data (i.e., data lying in the sparse region of the data distribution) compared to high proximity samples, and thus suffer from inconsistent miscalibration across different proximity samples. We examine the problem over $504$ pretrained ImageNet models and observe that: 1) Proximity bias exists across a wide variety of model architectures and sizes; 2) Transformer-based models are relatively more susceptible to proximity bias than CNN-based models; 3) Proximity bias persists even after performing popular calibration algorithms like temperature scaling; 4) Models tend to overfit more heavily on low proximity samples than on high proximity samples. Motivated by the empirical findings, we propose ProCal, a plug-and-play algorithm with a theoretical guarantee to adjust sample confidence based on proximity. To further quantify the effectiveness of calibration algorithms in mitigating proximity bias, we introduce proximity-informed expected calibration error (PIECE) with theoretical analysis. We show that ProCal is effective in addressing proximity bias and improving calibration on balanced, long-tail, and distribution-shift settings under four metrics over various model architectures. We believe our findings on proximity bias will guide the development of fairer and better-calibrated} models, contributing to the broader pursuit of trustworthy AI.


Apathetic or Empathetic? Evaluating LLMs' Emotional Alignments with Humans

Neural Information Processing Systems

Evaluating Large Language Models' (LLMs) anthropomorphic capabilities has become increasingly important in contemporary discourse. Utilizing the emotion appraisal theory from psychology, we propose to evaluate the empathy ability of LLMs, i.e., how their feelings change when presented with specific situations. After a careful and comprehensive survey, we collect a dataset containing over 400 situations that have proven effective in eliciting the eight emotions central to our study. Categorizing the situations into 36 factors, we conduct a human evaluation involving more than 1,200 subjects worldwide. With the human evaluation results as references, our evaluation includes seven LLMs, covering both commercial and open-source models, including variations in model sizes, featuring the latest iterations, such as GPT-4, Mixtral-8x22B, and LLaMA-3.1. We find that, despite several misalignments, LLMs can generally respond appropriately to certain situations. Nevertheless, they fall short in alignment with the emotional behaviors of human beings and cannot establish connections between similar situations.


FinBen: A Holistic Financial Benchmark for Large Language Models

Neural Information Processing Systems

LLMs have transformed NLP and shown promise in various fields, yet their potential in finance is underexplored due to a lack of comprehensive benchmarks, the rapid development of LLMs, and the complexity of financial tasks. In this paper, we introduce FinBen, the first extensive open-source evaluation benchmark, including 42 datasets spanning 24 financial tasks, covering eight critical aspects: information extraction (IE), textual analysis, question answering (QA), text generation, risk management, forecasting, decision-making, and bilingual (English and Spanish). FinBen offers several key innovations: a broader range of tasks and datasets, the first evaluation of stock trading, novel agent and Retrieval-Augmented Generation (RAG) evaluation, and two novel datasets for regulations and stock trading. Our evaluation of 21 representative LLMs, including GPT-4, ChatGPT, and the latest Gemini, reveals several key findings: While LLMs excel in IE and textual analysis, they struggle with advanced reasoning and complex tasks like text generation and forecasting. GPT-4 excels in IE and stock trading, while Gemini is better at text generation and forecasting. Instruction-tuned LLMs improve textual analysis but offer limited benefits for complex tasks such as QA. FinBen has been used to host the first financial LLMs shared task at the FinNLP-AgentScen workshop during IJCAI-2024, attracting 12 teams. Their novel solutions outperformed GPT-4, showcasing FinBen's potential to drive innovations in financial LLMs. All datasets and code are publicly available for the research community, with results shared and updated regularly on the Open Financial LLM Leaderboard.


Would I Lie To You? Inference Time Alignment of Language Models using Direct Preference Heads

Neural Information Processing Systems

Pre-trained Language Models (LMs) exhibit strong zero-shot and in-context learning capabilities; however, their behaviors are often difficult to control. By utilizing Reinforcement Learning from Human Feedback (RLHF), it is possible to fine-tune unsupervised LMs to follow instructions and produce outputs that reflect human preferences. Despite its benefits, RLHF has been shown to potentially harm a language model's reasoning capabilities and introduce artifacts such as hallucinations where the model may fabricate facts. To address this issue we introduce Direct Preference Heads (DPH), a fine-tuning framework that enables LMs to learn human preference signals through an auxiliary reward head without directly affecting the output distribution of the language modeling head. We perform a theoretical analysis of our objective function and find strong ties to Conservative Direct Preference Optimization (cDPO). Finally we evaluate our models on GLUE, RACE, and the GPT4All evaluation suite and demonstrate that our method produces models which achieve higher scores than those fine-tuned with Supervised Fine-Tuning (SFT) or Direct Preference Optimization (DPO) alone.


Grokking of Implicit Reasoning in Transformers: A Mechanistic Journey to the Edge of Generalization

Neural Information Processing Systems

We study whether transformers can learn to reason over parametric knowledge, a skill that even the most capable language models struggle with. Focusing on two representative reasoning types, composition and comparison, we consistently find that transformers learn implicit reasoning, but only through, i.e., extended training far beyond overfitting. The levels of generalization also vary across reasoning types: when faced with out-of-distribution examples, transformers fail to systematically generalize for composition but succeed for comparison. We delve into the model's internals throughout training, conducting analytical experiments that reveal: 1) the mechanism behind grokking, such as the formation of the generalizing circuit and its relation to the relative efficiency of generalizing and memorizing circuits, and 2) the connection between systematicity and the configuration of the generalizing circuit. Our findings guide data and training setup to better induce implicit reasoning and suggest potential improvements to the transformer architecture, such as encouraging cross-layer knowledge sharing. Furthermore, we demonstrate that for a challenging reasoning task with a large search space, GPT-4-Turbo and Gemini-1.5-Pro


Perceiving Longer Sequences With Bi-Directional Cross-Attention Transformers

Neural Information Processing Systems

We present a novel bi-directional Transformer architecture (BiXT) which scales linearly with input size in terms of computational cost and memory consumption, but does not suffer the drop in performance or limitation to only one input modality seen with other efficient Transformer-based approaches. BiXT is inspired by the Perceiver architectures but replaces iterative attention with an efficient bi-directional cross-attention module in which input tokens and latent variables attend to each other simultaneously, leveraging a naturally emerging attention-symmetry between the two. This approach unlocks a key bottleneck experienced by Perceiver-like architectures and enables the processing and interpretation of both semantics ('what') and location ('where') to develop alongside each other over multiple layers -- allowing its direct application to dense and instance-based tasks alike. By combining efficiency with the generality and performance of a full Transformer architecture, BiXT can process longer sequences like point clouds, text or images at higher feature resolutions and achieves competitive performance across a range of tasks like point cloud part segmentation, semantic image segmentation, image classification, hierarchical sequence modeling and document retrieval. Our experiments demonstrate that BiXT models outperform larger competitors by leveraging longer sequences more efficiently on vision tasks like classification and segmentation, and perform on par with full Transformer variants on sequence modeling and document retrieval -- but require 28\% fewer FLOPs and are up to $8.4\times$ faster.


Neural Collapse Inspired Feature Alignment for Out-of-Distribution Generalization

Neural Information Processing Systems

The spurious correlation between the background features of the image and its label arises due to that the samples labeled with the same class in the training set often co-occurs with a specific background, which will cause the encoder to extract non-semantic features for classification, resulting in poor out-of-distribution generalization performance. Although many studies have been proposed to address this challenge, the semantic and spurious features are still difficult to accurately decouple from the original image and fail to achieve high performance with deep learning models. This paper proposes a novel perspective inspired by neural collapse to solve the spurious correlation problem through the alternate execution of environment partitioning and learning semantic masks. Specifically, we propose to assign an environment to each sample by learning a local model for each environment and using maximum likelihood probability. At the same time, we require that the learned semantic mask neurally collapses to the same simplex equiangular tight frame (ETF) in each environment after being applied to the original input. We conduct extensive experiments on four datasets, and the results demonstrate that our method significantly improves out-of-distribution performance.


When Your AIs Deceive You: Challenges of Partial Observability in Reinforcement Learning from Human Feedback

Neural Information Processing Systems

Past analyses of reinforcement learning from human feedback (RLHF) assume that the human evaluators fully observe the environment. What happens when human feedback is based only on partial observations? We formally define two failure cases: deceptive inflation and overjustification. Modeling the human as Boltzmann-rational w.r.t. a belief over trajectories, we prove conditions under which RLHF is guaranteed to result in policies that deceptively inflate their performance, overjustify their behavior to make an impression, or both. Under the new assumption that the human's partial observability is known and accounted for, we then analyze how much information the feedback process provides about the return function. We show that sometimes, the human's feedback determines the return function uniquely up to an additive constant, but in other realistic cases, there is irreducible ambiguity. We propose exploratory research directions to help tackle these challenges and experimentally validate both the theoretical concerns and potential mitigations, and caution against blindly applying RLHF in partially observable settings.


BEACON: Benchmark for Comprehensive RNA Tasks and Language Models

Neural Information Processing Systems

RNA plays a pivotal role in translating genetic instructions into functional outcomes, underscoring its importance in biological processes and disease mechanisms. Despite the emergence of numerous deep learning approaches for RNA, particularly universal RNA language models, there remains a significant lack of standardized benchmarks to assess the effectiveness of these methods.